OPReactantPairId: 2018, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[C:1]#[N:10].CCC#N.[OH3+]

OrbPairId : 2051, Prediction : 0.000000

Neg data

OPReactantPairId: 3276, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[CH:10]=[C:11](C=C1)CCC[C+:20]=O.C1=CC=C(C=C1)CCC[C+]=O

OrbPairId : 3768, Prediction : 0.000000

Neg data

OPReactantPairId: 2616, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C=C)([C:22](=[O:23])C)C(C)(C=CC)O.CC[O-:10].CC[O-].CC=CC(C)(C(C=C)C(=O)C)O

OrbPairId : 2710, Prediction : 0.000000

Neg data

OPReactantPairId: 2151, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCCC([CH:22]1[Cl:23])C)CC.CCC1CCCC(C1Cl)C.[NH2-:10].[NH2-]

OrbPairId : 2193, Prediction : 0.000000
[H:20][C:21]1(CCCC([CH:22]1[Cl:23])CC)C.CCC1CCCC(C1Cl)C.[NH2-:10].[NH2-]

OrbPairId : 2194, Prediction : 0.000000

Neg data

OPReactantPairId: 1843, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)[C:20](C)([NH3+:21])[OH:10].CCN(CC)C(C)([NH3+])O

OrbPairId : 1864, Prediction : 0.000000

Neg data

OPReactantPairId: 2317, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC[N:10]1C(=O)C2=C(C1(O)O)C=CC=C2.CCCN1C(=O)C2=C(C1(O)O)C=CC=C2.[OH3+]

OrbPairId : 2377, Prediction : 0.000000

Neg data

OPReactantPairId: 2403, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC1=C[CH:10]=[C:11](C=C1)O.CC1=CC=C(C=C1)O.C1=CC=C(C=C1)[N+:21]#[N:20].C1=CC=C(C=C1)[N+]#N

OrbPairId : 2475, Prediction : 0.000000

Neg data

OPReactantPairId: 2317, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC[N:10]1C(=O)C2=C(C1(O)O)C=CC=C2.CCCN1C(=O)C2=C(C1(O)O)C=CC=C2.[OH3+]

OrbPairId : 3806, Prediction : 0.000000

Neg data

OPReactantPairId: 2401, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH:10]C(=O)OC)[O-:12].CC(=CC(=O)OC)[O-].C1[CH2:20][O:21]1.C1CO1

OrbPairId : 2473, Prediction : 0.000000

Neg data

OPReactantPairId: 2171, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)N(C)C)CC1=CC=CC=C1.CN(C)C(=O)C=C(CC1=CC=CC=C1)O.[NH2-:10].[NH2-]

OrbPairId : 2217, Prediction : 0.000000

Neg data

OPReactantPairId: 2401, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH:10]C(=O)OC)[O-:12].CC(=CC(=O)OC)[O-].C1[CH2:20][O:21]1.C1CO1

OrbPairId : 3393, Prediction : 0.000000

Neg data

OPReactantPairId: 2058, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C=C)(O)OCC.CCOC(C=C)([OH2+])O.[OH2:10].O

OrbPairId : 2093, Prediction : 0.000000

Neg data

OPReactantPairId: 3672, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)CC(=O)CC(=O)[O:21][C:20](C2=CC=CC=C2)(O)[O-:10].C1=CC=C(C=C1)CC(=O)CC(=O)OC(C2=CC=CC=C2)(O)[O-]

OrbPairId : 4297, Prediction : 0.000000

Neg data

OPReactantPairId: 1841, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10]CC.CCNCC.C[C:20](=[OH+:21])N.CC(=[OH+])N

OrbPairId : 1862, Prediction : 0.000000

Neg data

OPReactantPairId: 2315, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(=O)C(C1=CC=CC=C1)C(C)(CC2=CC=CC=C2)[O-:10].CC(=O)C(C1=CC=CC=C1)C(C)(CC2=CC=CC=C2)[O-].[OH3+]

OrbPairId : 2375, Prediction : 0.000000

Neg data

OPReactantPairId: 2155, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCOC(C)(C)[O:10]CC.CCOC(C)(C)OCC.[OH3+]

OrbPairId : 2198, Prediction : 0.000000

Neg data

OPReactantPairId: 2407, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C=C[C+:22]1O)C)N=NC2=CC=CC=C2.CC1=CC([C+](C=C1)O)N=NC2=CC=CC=C2.[Cl-:10].[Cl-]

OrbPairId : 2480, Prediction : 0.000000

Neg data

OPReactantPairId: 2155, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCOC(C)(C)[O:10]CC.CCOC(C)(C)OCC.[OH3+]

OrbPairId : 3850, Prediction : 0.000000

Neg data

OPReactantPairId: 1660, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CO[C:22](=[OH+:23])[CH:21]=[CH2:20].COC(=[OH+])C=C

OrbPairId : 1665, Prediction : 0.000000

Neg data

OPReactantPairId: 1666, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C+:22](C)C.CC[C+](C)C.CC[OH:10].CCO

OrbPairId : 1672, Prediction : 0.000000
CC[C+:20](C)C.CC[C+](C)C.CC[OH:10].CCO

OrbPairId : 1673, Prediction : 0.000000

Neg data

OPReactantPairId: 3762, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC(C)O[C:20](=[O:21])C.CCC(C)OC(=O)C.[OH-:10].[OH-]

OrbPairId : 4397, Prediction : 0.000000

Neg data

OPReactantPairId: 1954, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)NC(=O)CC)Br.CCC(=O)N[C+]1C=CC(C=C1)Br.[Br-:10].[Br-]

OrbPairId : 1982, Prediction : 0.000000

Neg data

OPReactantPairId: 3153, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21][C:1](=[CH:3]C(=O)Cl)CC1=CC=CC=C1.C1=CC=C(C=C1)CC(=CC(=O)Cl)O

OrbPairId : 3524, Prediction : 0.000000

Neg data

OPReactantPairId: 2516, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])OC.CC(=O)OC.[C-:10]#N.[C-]#N

OrbPairId : 2603, Prediction : 0.000000

Neg data

OPReactantPairId: 2516, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])OC.CC(=O)OC.[C-:10]#N.[C-]#N

OrbPairId : 3348, Prediction : 0.000000

Neg data

OPReactantPairId: 1851, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
COC(=O)C1CC[C:20](=[O+:21]CC[OH:10])CC1.COC(=O)C1CCC(=[O+]CCO)CC1

OrbPairId : 1872, Prediction : 0.000000

Neg data

OPReactantPairId: 3020, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[N:10](C)C1=CC=CC=C1.CN(C)C1=CC=CC=C1.[CH3:20][I:21].CI

OrbPairId : 3154, Prediction : 0.000000

Neg data

OPReactantPairId: 1668, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C1CC[O+:21]=[CH:20]C1.C1CC[O+]=CC1

OrbPairId : 1675, Prediction : 0.000000

Neg data

OPReactantPairId: 3553, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)C=C(CC1=CC=CC=C1)O.CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=CC(=O)O)O

OrbPairId : 4166, Prediction : 0.000000

Neg data

OPReactantPairId: 1853, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](CCC(=O)NC)([OH:10])[OH+:21]C.CCOC(CCC(=O)NC)(O)[OH+]C

OrbPairId : 1874, Prediction : 0.000000

Neg data

OPReactantPairId: 3746, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1CCC[C:22]1=[O:23].C1CCC(=O)C1.[OH-:10].[OH-]

OrbPairId : 4381, Prediction : 0.000000

Neg data

OPReactantPairId: 2153, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.[OH2:10].O

OrbPairId : 2196, Prediction : 0.000000

Neg data

OPReactantPairId: 3272, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.CO[C:13]1=[CH:12][CH:11]=[CH:10]C(=C1)[N+](=O)[O-].COC1=CC=CC(=C1)[N+](=O)[O-]

OrbPairId : 3723, Prediction : 0.000000
C[C+:20]=O.C[C+]=O.CO[C:11]1=[CH:10]C=CC(=C1)[N+](=O)[O-].COC1=CC=CC(=C1)[N+](=O)[O-]

OrbPairId : 3724, Prediction : 0.000000

Neg data

OPReactantPairId: 3551, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](C)([C:10](=[C:11](C)[O-:12])C)[OH:21].CCC(C)(C(=C(C)[O-])C)O

OrbPairId : 4164, Prediction : 0.000000

Neg data

OPReactantPairId: 3557, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCOC(=O)C1CCCC[C:20]1([O-:10])[O:21]CC.CCOC(=O)C1CCCCC1([O-])OCC

OrbPairId : 4171, Prediction : 0.000000

Neg data

OPReactantPairId: 2311, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][CH:20](O)[OH:10].CC(=O)OC(O)O

OrbPairId : 3759, Prediction : 0.000000

Neg data

OPReactantPairId: 2311, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][CH:20](O)[OH:10].CC(=O)OC(O)O

OrbPairId : 2371, Prediction : 0.000000

Neg data

OPReactantPairId: 3744, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[C-:10]([C:20](C=C1)(O)[F:21])[N+](=O)[O-].C1=C[C-](C(C=C1)(O)F)[N+](=O)[O-]

OrbPairId : 4379, Prediction : 0.000000

Neg data

OPReactantPairId: 3270, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.CC(=O)C1=CC2=C([CH:10]=[CH:11]C=C2)C=C1.CC(=O)C1=CC2=C(C=CC=C2)C=C1

OrbPairId : 3719, Prediction : 0.000000
C[C+:20]=O.C[C+]=O.CC(=O)C1=CC2=C(C=C[CH:11]=[CH:10]2)C=C1.CC(=O)C1=CC2=C(C=CC=C2)C=C1

OrbPairId : 3720, Prediction : 0.000000

Neg data

OPReactantPairId: 1926, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]1CCCCC1(C)C(C)Br.CC(C1(CCCC[OH+]1)C)Br.[Br-:10].[Br-]

OrbPairId : 1952, Prediction : 0.000000

Neg data

OPReactantPairId: 3141, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]C(C)CCC(C)Br.CC(CCC(C)Br)O

OrbPairId : 3508, Prediction : 0.000000

Neg data

OPReactantPairId: 2497, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](CCC=O)([O-:10])OC.CC(=O)OC(CCC=O)([O-])OC

OrbPairId : 2580, Prediction : 0.000000

Neg data

OPReactantPairId: 3716, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)C)CC1=CC=CC=C1.CC(=O)C=C(CC1=CC=CC=C1)O.[OH-:10].[OH-]

OrbPairId : 4348, Prediction : 0.000000

Neg data

OPReactantPairId: 2895, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:10]=[C:11](C(C)Br)[O-:12].CC=C(C(C)Br)[O-].[Br:20][Br:21].BrBr

OrbPairId : 3019, Prediction : 0.000000

Neg data

OPReactantPairId: 3748, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCC[C:22]1=[O:23])C(C)O.CC(C1CCCC1=O)O.[OH-:10].[OH-]

OrbPairId : 4383, Prediction : 0.000000

Neg data

OPReactantPairId: 3541, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:21][CH:20](C1CCCCC1=O)[O-:10].CCOC(C1CCCCC1=O)[O-]

OrbPairId : 4150, Prediction : 0.000000

Neg data

OPReactantPairId: 1869, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](=[OH+:21])C.CCNC(=[OH+])C.CC[OH:10].CCO

OrbPairId : 1892, Prediction : 0.000000

Neg data

OPReactantPairId: 2897, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC([C:11](=[C:10](C)Br)[O-:12])Br.CC(C(=C(C)Br)[O-])Br.[Br:20][Br:21].BrBr

OrbPairId : 3022, Prediction : 0.000000

Neg data

OPReactantPairId: 1555, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CC(C)[CH:20]=[O+:21]C.CC(C)C=[O+]C

OrbPairId : 1551, Prediction : 0.000000

Neg data

OPReactantPairId: 3038, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[NH2:10].CC(C)N.[CH3:20][I:21].CI

OrbPairId : 3174, Prediction : 0.000000

Neg data

OPReactantPairId: 1950, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(C)(O)[O:10]CCO.CC(C)(O)OCCO.[OH3+]

OrbPairId : 1977, Prediction : 0.000000

Neg data

OPReactantPairId: 3543, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C=C[C:20](=[O:21])Cl.C=CC(=O)Cl

OrbPairId : 4152, Prediction : 0.000000

Neg data

OPReactantPairId: 1950, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(C)(O)[O:10]CCO.CC(C)(O)OCCO.[OH3+]

OrbPairId : 3735, Prediction : 0.000000

Neg data

OPReactantPairId: 3718, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC1(C(=O)CCC1=O)C[CH:10]=[C:11]([CH2:4]CCC2=CC(=CC=C2)OC)[O-:12].CC1(C(=O)CCC1=O)CC=C(CCCC2=CC(=CC=C2)OC)[O-].O

OrbPairId : 4350, Prediction : 0.000000

Neg data

OPReactantPairId: 3157, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][N:21](CC)CC.CCNCC

OrbPairId : 3529, Prediction : 0.000000

Neg data

OPReactantPairId: 1557, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[C:20](=[OH+:21])N.CC(=[OH+])N

OrbPairId : 1553, Prediction : 0.000000

Neg data

OPReactantPairId: 2998, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CBr)C1(CCCC1)C.CC1(CCCC1)C(CBr)[OH2+].[OH2:10].O

OrbPairId : 3132, Prediction : 0.000000

Neg data

OPReactantPairId: 1952, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C)C.CC(=[OH+])C.[OH2:10].O

OrbPairId : 1979, Prediction : 0.000000

Neg data

OPReactantPairId: 3545, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC(C[N+](=O)[O-])[O-:10].CC(C[N+](=O)[O-])[O-]

OrbPairId : 4154, Prediction : 0.000000

Neg data

OPReactantPairId: 3155, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]C(C)(C)C#N.CC(C)(C#N)O

OrbPairId : 3526, Prediction : 0.000000

Neg data

OPReactantPairId: 1857, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH+:22]C=CCC.CCC=C[CH+]C.CC[OH:10].CCO

OrbPairId : 1878, Prediction : 0.000000
CCC=C[CH+:20]C.CCC=C[CH+]C.CC[OH:10].CCO

OrbPairId : 1882, Prediction : 0.000000

Neg data

OPReactantPairId: 2514, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[C:20]([CH:10]=[CH:11][C-:12]1[N+](=O)[O-])(C#N)[I:21].C1=CC(C=C[C-]1[N+](=O)[O-])(C#N)I

OrbPairId : 2601, Prediction : 0.000000

Neg data

OPReactantPairId: 3778, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C1=CC=CC=C1)([C:22](=[O:23])C)C(C)(CC2=CC=CC=C2)O.CC(=O)C(C1=CC=CC=C1)C(C)(CC2=CC=CC=C2)O.[OH-:10].[OH-]

OrbPairId : 4416, Prediction : 0.000000

Neg data

OPReactantPairId: 2839, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:10](=[C:11](N(C)C)[O-:12])Br.CC(=C(N(C)C)[O-])Br.[Br:20][Br:21].BrBr

OrbPairId : 2950, Prediction : 0.000000

Neg data

OPReactantPairId: 3774, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21]1=CC=CC=C1.C1CC[C:11](=[CH:10]C1)[OH:12].C1CCC(=CC1)O.C1=CC=[NH+]C=C1

OrbPairId : 4412, Prediction : 0.000000

Neg data

OPReactantPairId: 2298, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])OC=O.CC(=[OH+])OC=O.[OH2:10].O

OrbPairId : 2358, Prediction : 0.000000

Neg data

OPReactantPairId: 2483, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.[CH2:20]=[CH:21][CH:22]=[O:23].C=CC=O

OrbPairId : 3218, Prediction : 0.000000

Neg data

OPReactantPairId: 1953, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CCC(=O)N[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CCC(=O)NC1=CC=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 1980, Prediction : 0.000000
CCC(=O)N[C:11]1=[CH:10]C=CC=C1.CCC(=O)NC1=CC=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 1981, Prediction : 0.000000

Neg data

OPReactantPairId: 2483, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.[CH2:20]=[CH:21][CH:22]=[O:23].C=CC=O

OrbPairId : 2563, Prediction : 0.000000

Neg data

OPReactantPairId: 1571, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21]([CH+:22]C)Br.CC[OH:10].CCO.C[CH+]CBr

OrbPairId : 1573, Prediction : 0.000000
CC[OH:10].CCO.C[CH+:20]CBr.C[CH+]CBr

OrbPairId : 1574, Prediction : 0.000000

Neg data

OPReactantPairId: 2518, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=C[C:20](=[N:21]C=C1)Cl.C1=CC(=NC=C1)Cl

OrbPairId : 4146, Prediction : 0.000000

Neg data

OPReactantPairId: 2518, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=C[C:20](=[N:21]C=C1)Cl.C1=CC(=NC=C1)Cl

OrbPairId : 2605, Prediction : 0.000000

Neg data

OPReactantPairId: 1543, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].C1C[O:10]1.C1CO1.Br

OrbPairId : 1539, Prediction : 0.000000

Neg data

OPReactantPairId: 2538, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.[CH2:20]=[CH:21][C:22](=[O:23])N.C=CC(=O)N

OrbPairId : 2625, Prediction : 0.000000

Neg data

OPReactantPairId: 2538, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.[CH2:20]=[CH:21][C:22](=[O:23])N.C=CC(=O)N

OrbPairId : 3483, Prediction : 0.000000

Neg data

OPReactantPairId: 3772, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C=C)([C:22](=[O:23])C)C(C)(C=CC)O.CC=CC(C)(C(C=C)C(=O)C)O.[OH-:10].[OH-]

OrbPairId : 4410, Prediction : 0.000000

Neg data

OPReactantPairId: 2892, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:11](=[CH:10]C)[O-:12].CCC(=CC)[O-].[Br:20][Br:21].BrBr

OrbPairId : 3016, Prediction : 0.000000

Neg data

OPReactantPairId: 2889, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](CCCC[O-])([CH:22]=[O:23])Br.C(CC[O-])CC(C=O)Br.[OH-:10].[OH-]

OrbPairId : 3011, Prediction : 0.000000

Neg data

OPReactantPairId: 2829, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH-:10]C#N.C[CH-]C#N.[Br:20][Br:21].BrBr

OrbPairId : 2939, Prediction : 0.000000

Neg data

OPReactantPairId: 1541, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].C=CC[OH:10].C=CCO.Br

OrbPairId : 1537, Prediction : 0.000000

Neg data

OPReactantPairId: 2052, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC=C[CH:11]=[CH:10]C.CC=CC=CC.[OH3+]

OrbPairId : 2086, Prediction : 0.000000

Neg data

OPReactantPairId: 3145, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH:21](C1=CC=CC=C1)[C:22](=[O:23])CC(=O)[O-].C1=CC=C(C=C1)CC(=O)CC(=O)[O-]

OrbPairId : 3515, Prediction : 0.000000

Neg data

OPReactantPairId: 1768, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=CC(=C2)[N+](=O)[O-])Br.C1=CC2=C(C=CC(=C2)[N+](=O)[O-])C([CH+]1)Br.[Br-:10].[Br-]

OrbPairId : 1783, Prediction : 0.000000

Neg data

OPReactantPairId: 1547, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].C[C:10]#[C:11]C1=CC=CC=C1.CC#CC1=CC=CC=C1.Br

OrbPairId : 1543, Prediction : 0.000000

Neg data

OPReactantPairId: 2534, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=CCC[C:20](C)([NH+:21]1CCCC1)[OH:10])[O-].CC(=CCCC(C)([NH+]1CCCC1)O)[O-]

OrbPairId : 2621, Prediction : 0.000000

Neg data

OPReactantPairId: 2495, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C(CC(=O)[O-:10])C=O.C(CC(=O)[O-])C=O.[OH3+]

OrbPairId : 2578, Prediction : 0.000000

Neg data

OPReactantPairId: 1974, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC([NH2:10])(O)O.CC(N)(O)O.[OH3+]

OrbPairId : 3820, Prediction : 0.000000

Neg data

OPReactantPairId: 2902, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)(C)[C:22](=[O:23])C(C)C.CC(C)C(=O)C(C)C.[OH-:10].[OH-]

OrbPairId : 3027, Prediction : 0.000000

Neg data

OPReactantPairId: 2603, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](CC(=O)N(C)C)([O-:10])[Cl:21].CC(CC(=O)N(C)C)([O-])Cl

OrbPairId : 2697, Prediction : 0.000000

Neg data

OPReactantPairId: 3531, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCCC1(C)O)[C:22](=[O:23])C.CC[O-:10].CC[O-].CC(=O)C1CCCC1(C)O

OrbPairId : 4138, Prediction : 0.000000

Neg data

OPReactantPairId: 2603, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](CC(=O)N(C)C)([O-:10])[Cl:21].CC(CC(=O)N(C)C)([O-])Cl

OrbPairId : 3239, Prediction : 0.000000

Neg data

OPReactantPairId: 2082, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]CC=C=N.C(C=C=N)[OH2+].[OH2:10].O

OrbPairId : 2119, Prediction : 0.000000

Neg data

OPReactantPairId: 3246, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CCC(=O)O[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CCC(=O)OC1=CC=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3679, Prediction : 0.000000
CCC(=O)O[C:11]1=[CH:10]C=CC=C1.CCC(=O)OC1=CC=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3681, Prediction : 0.000000

Neg data

OPReactantPairId: 2813, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)[N+](=O)[O-].CC[O-:10].CC[O-].C(C#N)[N+](=O)[O-]

OrbPairId : 2923, Prediction : 0.000000

Neg data

OPReactantPairId: 1563, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[CH+:20]C=C.C[CH+]C=C

OrbPairId : 1559, Prediction : 0.000000

Neg data

OPReactantPairId: 2813, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)[N+](=O)[O-].CC[O-:10].CC[O-].C(C#N)[N+](=O)[O-]

OrbPairId : 3312, Prediction : 0.000000

Neg data

OPReactantPairId: 2815, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC#CC(C)(C)[O-:10].CC#CC(C)(C)[O-].[OH3+]

OrbPairId : 2925, Prediction : 0.000000

Neg data

OPReactantPairId: 2605, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH2:20][Br:21].CCCBr.C1=CC2=C(C=C1)C(=O)[N:10]=[C:11]2[O-:12].C1=CC2=C(C=C1)C(=O)N=C2[O-]

OrbPairId : 3479, Prediction : 0.000000

Neg data

OPReactantPairId: 3801, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH2+:21]CCCC1CCCCC1=O.C1CCC(=O)C(C1)CCC[NH3+].C1CCC2(C(C1)CCCN2)[OH:10].C1CCC2(C(C1)CCCN2)O

OrbPairId : 4442, Prediction : 0.000000

Neg data

OPReactantPairId: 2605, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH2:20][Br:21].CCCBr.C1=CC2=C(C=C1)C(=O)[N:10]=[C:11]2[O-:12].C1=CC2=C(C=C1)C(=O)N=C2[O-]

OrbPairId : 2699, Prediction : 0.000000

Neg data

OPReactantPairId: 2080, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C=C[C:1]#[N:10].C=CC#N.[OH3+]

OrbPairId : 2117, Prediction : 0.000000

Neg data

OPReactantPairId: 2271, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20](COC)[OH2+:21].CC(COC)[OH2+]

OrbPairId : 2328, Prediction : 0.000000

Neg data

OPReactantPairId: 3476, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=CC=C2C(F)(F)F)C(C)C.CC(C)C1[CH+]C=CC2=C1C=CC=C2C(F)(F)F.[F-:10].[F-]

OrbPairId : 4080, Prediction : 0.000000

Neg data

OPReactantPairId: 3803, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C#C[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.C#CC1=CC=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 4445, Prediction : 0.000000
C#C[C:11]1=[CH:10]C=CC=C1.C#CC1=CC=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 4446, Prediction : 0.000000

Neg data

OPReactantPairId: 2273, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C=CC(=[O:10])O.C=CC(=O)O.[OH3+]

OrbPairId : 2330, Prediction : 0.000000

Neg data

OPReactantPairId: 3776, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C1=CC=CC=C1)[C:22](=[O:23])C.CC(=O)CC1=CC=CC=C1.[OH-:10].[OH-]

OrbPairId : 4414, Prediction : 0.000000

Neg data

OPReactantPairId: 2275, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]CC=C(O)O.C(C=C(O)O)[OH2+].[OH2:10].O

OrbPairId : 2334, Prediction : 0.000000

Neg data

OPReactantPairId: 3478, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)C)[C:22](=[O:23])C.CC[O-:10].CC[O-].CC(=O)CC(=O)C

OrbPairId : 4083, Prediction : 0.000000

Neg data

OPReactantPairId: 2502, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C=C(CC[CH2:20][Br:21])[O-:10].C=C(CCCBr)[O-]

OrbPairId : 3382, Prediction : 0.000000

Neg data

OPReactantPairId: 1573, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]=[N+:21](C)C.CCC=[N+](C)C.CC[OH:10].CCO

OrbPairId : 1570, Prediction : 0.000000

Neg data

OPReactantPairId: 2502, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C=C(CC[CH2:20][Br:21])[O-:10].C=C(CCCBr)[O-]

OrbPairId : 2586, Prediction : 0.000000

Neg data

OPReactantPairId: 3640, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][CH:20](O)[O-:10].CC(=O)OC(O)[O-]

OrbPairId : 4261, Prediction : 0.000000

Neg data

OPReactantPairId: 2613, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC=C[C:20](=[O:21])C.CC=CC(=O)C.C[C:11](=[CH:10]C=C)[O-:12].CC(=CC=C)[O-]

OrbPairId : 2707, Prediction : 0.000000

Neg data

OPReactantPairId: 3601, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)N(C)C)CC1=CC=CC=C1.CN(C)C(=O)C=C(CC1=CC=CC=C1)O.[OH-:10].[OH-]

OrbPairId : 4220, Prediction : 0.000000

Neg data

OPReactantPairId: 3527, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCC[C:22]1=[O:23])C(C)O.CC[O-:10].CC[O-].CC(C1CCCC1=O)O

OrbPairId : 4134, Prediction : 0.000000

Neg data

OPReactantPairId: 2255, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CN(C)[C:11](=[CH2:10])[O-:12].CN(C)C(=C)[O-].[CH3:20][Br:21].CBr

OrbPairId : 2307, Prediction : 0.000000

Neg data

OPReactantPairId: 2255, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CN(C)[C:11](=[CH2:10])[O-:12].CN(C)C(=C)[O-].[CH3:20][Br:21].CBr

OrbPairId : 3284, Prediction : 0.000000

Neg data

OPReactantPairId: 1928, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)O)Br.C1=C[C+](C=CC1Br)O.[Br-:10].[Br-]

OrbPairId : 1955, Prediction : 0.000000

Neg data

OPReactantPairId: 3456, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC(=O)C(C1=CC=CC=C1)C(C)(CC2=CC=CC=C2)[O-:10].CC(=O)C(C1=CC=CC=C1)C(C)(CC2=CC=CC=C2)[O-]

OrbPairId : 4060, Prediction : 0.000000

Neg data

OPReactantPairId: 1766, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CCC(=O)O[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CCC(=O)OC1=CC=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 1784, Prediction : 0.000000
CCC(=O)O[C:11]1=[CH:10]C=CC=C1.CCC(=O)OC1=CC=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 1787, Prediction : 0.000000

Neg data

OPReactantPairId: 3393, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[CH+:22]1)C(C)C.CC(C)C1C=CC=C[CH+]1.[F-:10].[F-]

OrbPairId : 3985, Prediction : 0.000000

Neg data

OPReactantPairId: 3248, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=N[CH:11]=[CH:10]1.C1=CC=NC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3682, Prediction : 0.000000

Neg data

OPReactantPairId: 3621, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(C)(CC#N)[O-:10].CC(C)(CC#N)[O-].O

OrbPairId : 4240, Prediction : 0.000000

Neg data

OPReactantPairId: 1567, ReactionConditionsId: 1

NumPos: 3, numNeg: 0, Link

Pos data
[H:20][CH:21]1CC(C[C+:22]1C)CC.CCC1CC[C+](C1)C.CC[OH:10].CCO

OrbPairId : 1563, Prediction : 0.000000
[H:20][CH:21]1C(CC[C+:22]1C)CC.CCC1CC[C+](C1)C.CC[OH:10].CCO

OrbPairId : 1564, Prediction : 0.000000
CCC1CC[C+:20](C1)C.CCC1CC[C+](C1)C.CC[OH:10].CCO

OrbPairId : 1565, Prediction : 0.000000

Neg data

OPReactantPairId: 3535, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCOC(=O)[CH:10]=[C:11](C)[O-:12].CCOC(=O)C=C(C)[O-].C1C[CH:20]=[CH:21][C:22](=[O:23])C1.C1CC=CC(=O)C1

OrbPairId : 4142, Prediction : 0.000000

Neg data

OPReactantPairId: 3454, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)OCC)[C:22](=[O:23])OCC.CC[O-:10].CC[O-].CCOC(=O)CC(=O)OCC

OrbPairId : 4058, Prediction : 0.000000

Neg data

OPReactantPairId: 3452, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1[C:22](=[O:23])CCC1(C)O.CC[O-:10].CC[O-].CC1(CCC(=O)C1)O

OrbPairId : 4056, Prediction : 0.000000

Neg data

OPReactantPairId: 2601, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20](C)[Cl:21].CC(C)Cl.[C-:10]#N.[C-]#N

OrbPairId : 2695, Prediction : 0.000000

Neg data

OPReactantPairId: 3623, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)C(C)(C)O.CC(C)(CC#N)O.[OH-:10].[OH-]

OrbPairId : 4242, Prediction : 0.000000

Neg data

OPReactantPairId: 1882, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](C)([N:10]1CCCC1)[OH2+:21].CCC(C)(N1CCCC1)[OH2+]

OrbPairId : 1907, Prediction : 0.000000

Neg data

OPReactantPairId: 2811, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCNC[CH:10]=[C:11](N)[O-:12].CCNCC=C(N)[O-].[OH3+]

OrbPairId : 2921, Prediction : 0.000000

Neg data

OPReactantPairId: 2736, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21]1(CCCC1)C(C)(CC)[O-].CCC(C)([NH+]1CCCC1)[O-].[OH2:10].O

OrbPairId : 2841, Prediction : 0.000000

Neg data

OPReactantPairId: 3062, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20](C(C)C)[Br:21].CCC(C(C)C)Br

OrbPairId : 3219, Prediction : 0.000000

Neg data

OPReactantPairId: 2298, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])OC=O.CC(=[OH+])OC=O.[OH2:10].O

OrbPairId : 3743, Prediction : 0.000000

Neg data

OPReactantPairId: 3613, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CCC(C)(C(C)C(=O)C)[O-:10].CCC(C)(C(C)C(=O)C)[O-].O

OrbPairId : 4232, Prediction : 0.000000

Neg data

OPReactantPairId: 1559, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C)([NH3+:21])[OH:10].CCOC(C)([NH3+])O

OrbPairId : 1555, Prediction : 0.000000

Neg data

OPReactantPairId: 3034, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[N:10](C)C.CCN(C)C.[CH3:20][I:21].CI

OrbPairId : 3169, Prediction : 0.000000

Neg data

OPReactantPairId: 2990, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CCC1CCC(C1[O-:10])C.CCC1CCC(C1[O-])C.O

OrbPairId : 3122, Prediction : 0.000000

Neg data

OPReactantPairId: 1872, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[OH:12].CC(=C)O.[CH2:20]=[OH+:21].C=[OH+]

OrbPairId : 1895, Prediction : 0.000000

Neg data

OPReactantPairId: 3629, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)[C:20](=[O:21])OC2=CC=CC=C2.C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2.[OH-:10].[OH-]

OrbPairId : 4248, Prediction : 0.000000

Neg data

OPReactantPairId: 3462, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)C)C(C)C.C[C+]1C=CC(C=C1)C(C)C.[F-:10].[F-]

OrbPairId : 4066, Prediction : 0.000000

Neg data

OPReactantPairId: 3292, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](C(C)C(=O)OCC)(O)[OH:10].CC[OH+]C(C(C)C(=O)OCC)(O)O

OrbPairId : 3795, Prediction : 0.000000

Neg data

OPReactantPairId: 2738, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC(C)(N1CCCC1)[OH:10].CCC(C)(N1CCCC1)O.[OH3+]

OrbPairId : 2843, Prediction : 0.000000

Neg data

OPReactantPairId: 2837, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)([C:22](=[O:23])N(C)C)Br.CC(C(=O)N(C)C)Br.[OH-:10].[OH-]

OrbPairId : 2948, Prediction : 0.000000

Neg data

OPReactantPairId: 3631, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)C1=CC=CC=C1.C1=CC=C(C=C1)C(=O)O.[OH-:10].[OH-]

OrbPairId : 4251, Prediction : 0.000000

Neg data

OPReactantPairId: 2992, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].C[CH:10]=[CH:11][O-:12].CC=C[O-].O

OrbPairId : 3126, Prediction : 0.000000

Neg data

OPReactantPairId: 1883, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[N+:23]1CCCC1)CC.CCC(=[N+]1CCCC1)C.C1CC[NH:10]C1.C1CCNC1

OrbPairId : 1908, Prediction : 0.000000

Neg data

OPReactantPairId: 3523, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1CCC[C:22]1=[O:23].CC[O-:10].CC[O-].C1CCC(=O)C1

OrbPairId : 4130, Prediction : 0.000000

Neg data

OPReactantPairId: 3460, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[C:10](C1=CC=CC=C1)[C:20](C)(CC2=CC=CC=C2)[OH:21])[O-:12].CC(=C(C1=CC=CC=C1)C(C)(CC2=CC=CC=C2)O)[O-]

OrbPairId : 4064, Prediction : 0.000000

Neg data

OPReactantPairId: 1569, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](CCC(=O)OC(=O)C)([OH:10])[Cl:21].CCNC(CCC(=O)OC(=O)C)(O)Cl

OrbPairId : 1567, Prediction : 0.000000

Neg data

OPReactantPairId: 3385, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)C(C)C)C(C)C.CC(C)C1C=C[C+](C=C1)C(C)C.[F-:10].[F-]

OrbPairId : 3976, Prediction : 0.000000

Neg data

OPReactantPairId: 2835, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](CC(=O)CC1=CC=CC=C1)([O-:10])[O:21]C(=O)C2=CC=CC=C2.CCOC(CC(=O)CC1=CC=CC=C1)([O-])OC(=O)C2=CC=CC=C2

OrbPairId : 2947, Prediction : 0.000000

Neg data

OPReactantPairId: 2835, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](CC(=O)CC1=CC=CC=C1)([O-:10])[O:21]C(=O)C2=CC=CC=C2.CCOC(CC(=O)CC1=CC=CC=C1)([O-])OC(=O)C2=CC=CC=C2

OrbPairId : 3448, Prediction : 0.000000

Neg data

OPReactantPairId: 3637, ReactionConditionsId: 1

NumPos: 3, numNeg: 0, Link

Pos data
CCC1CCCC([CH:20]1[Cl:21])C.CCC1CCCC(C1Cl)C.[OH-:10].[OH-]

OrbPairId : 4257, Prediction : 0.000000
[H:20][C:21]1(CCCC([CH:22]1[Cl:23])C)CC.CCC1CCCC(C1Cl)C.[OH-:10].[OH-]

OrbPairId : 4301, Prediction : 0.000000
[H:20][C:21]1(CCCC([CH:22]1[Cl:23])CC)C.CCC1CCCC(C1Cl)C.[OH-:10].[OH-]

OrbPairId : 4303, Prediction : 0.000000

Neg data

OPReactantPairId: 2296, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)Cl)CC1=CC=CC=C1.C1=CC=C(C=C1)CC(=CC(=O)Cl)O.[NH2-:10].[NH2-]

OrbPairId : 2356, Prediction : 0.000000

Neg data

OPReactantPairId: 3521, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21](C)([C:22](=[O:23])CC)C(=O)OCC.CCC(=O)C(C)C(=O)OCC.CC[O-:10].CC[O-]

OrbPairId : 4127, Prediction : 0.000000
[H:20][C:21](C)(C(=O)CC)[C:22](=[O:23])OCC.CCC(=O)C(C)C(=O)OCC.CC[O-:10].CC[O-]

OrbPairId : 4128, Prediction : 0.000000

Neg data

OPReactantPairId: 3466, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1C)C(C)C.C[C+]1C=CC=CC1C(C)C.[F-:10].[F-]

OrbPairId : 4070, Prediction : 0.000000

Neg data

OPReactantPairId: 2718, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)[C:22](=[O:23])CC1=CC=CC=C1.CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=O)CC#N

OrbPairId : 2821, Prediction : 0.000000

Neg data

OPReactantPairId: 2718, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)[C:22](=[O:23])CC1=CC=CC=C1.CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=O)CC#N

OrbPairId : 3339, Prediction : 0.000000

Neg data

OPReactantPairId: 3058, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC1CC=CC(C1[NH:10]C)C.CC1CC=CC(C1NC)C.[CH3:20][I:21].CI

OrbPairId : 3207, Prediction : 0.000000

Neg data

OPReactantPairId: 3635, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1[C:22](=[O:23])CCCC1(C)O.CC1(CCCC(=O)C1)O.[OH-:10].[OH-]

OrbPairId : 4255, Prediction : 0.000000

Neg data

OPReactantPairId: 3639, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](O)([O-:10])[O:21]C=O.CC(O)([O-])OC=O

OrbPairId : 4260, Prediction : 0.000000

Neg data

OPReactantPairId: 2823, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC=C[CH2:20][Cl:21].CC=CCCl.[C-:10]#N.[C-]#N

OrbPairId : 2933, Prediction : 0.000000

Neg data

OPReactantPairId: 2564, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20](C)[Br:21].CCC(C)Br.[C-:10]#N.[C-]#N

OrbPairId : 2655, Prediction : 0.000000

Neg data

OPReactantPairId: 1764, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=C(C=C2)[N+](=O)[O-])Br.C1=CC2=C(C=C(C=C2)[N+](=O)[O-])C([CH+]1)Br.[Br-:10].[Br-]

OrbPairId : 1780, Prediction : 0.000000

Neg data

OPReactantPairId: 2714, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[C-:10]#N.[C-]#N.C(CO)[CH:20]=[O:21].C(CO)C=O

OrbPairId : 2816, Prediction : 0.000000

Neg data

OPReactantPairId: 1533, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:20]=[CH:21][CH:22]=[OH+:23].C=CC=[OH+].[Br-:10].[Br-]

OrbPairId : 1529, Prediction : 0.000000

Neg data

OPReactantPairId: 3177, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CCCCCCBr.C(CCCBr)CCO

OrbPairId : 3556, Prediction : 0.000000

Neg data

OPReactantPairId: 2712, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)OC)N=NC2=CC=CC=C2.CO[C+]1C=CC(C=C1)N=NC2=CC=CC=C2.[Cl-:10].[Cl-]

OrbPairId : 2814, Prediction : 0.000000

Neg data

OPReactantPairId: 2728, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C=CCC[O-:10].C=CCC[O-].[OH3+]

OrbPairId : 2831, Prediction : 0.000000

Neg data

OPReactantPairId: 3149, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]C(C)C(C)Br.CC(C(C)Br)O

OrbPairId : 3519, Prediction : 0.000000

Neg data

OPReactantPairId: 2825, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.[CH2:10]=[CH:11][O-:12].C=C[O-]

OrbPairId : 3347, Prediction : 0.000000

Neg data

OPReactantPairId: 2825, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.[CH2:10]=[CH:11][O-:12].C=C[O-]

OrbPairId : 2935, Prediction : 0.000000

Neg data

OPReactantPairId: 2259, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[C:1]#[N:10].CC#N.[OH3+]

OrbPairId : 2316, Prediction : 0.000000

Neg data

OPReactantPairId: 3066, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[C:20](C)(CC1=CC=CC=C1)[Br:21].CC(C)C(C)(CC1=CC=CC=C1)Br

OrbPairId : 3232, Prediction : 0.000000

Neg data

OPReactantPairId: 1793, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CCN[C:22](=[O:23])[CH:21]=[CH2:20].CCNC(=O)C=C

OrbPairId : 1811, Prediction : 0.000000

Neg data

OPReactantPairId: 2243, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[O:10]C(CC(=O)O)(O)O.CCOC(CC(=O)O)(O)O.[OH3+]

OrbPairId : 2296, Prediction : 0.000000

Neg data

OPReactantPairId: 1793, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CCN[C:22](=[O:23])[CH:21]=[CH2:20].CCNC(=O)C=C

OrbPairId : 2402, Prediction : 0.000000

Neg data

OPReactantPairId: 2827, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C=C(C)C)[CH:22](C(C)C)[Br:23].CC(C)C(CC=C(C)C)Br.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 2937, Prediction : 0.000000

Neg data

OPReactantPairId: 2918, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1CCC[C:3]([CH:22]1[Br:23])([H:2])C=CC.CC=CC1CCCCC1Br.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3048, Prediction : 0.000000

Neg data

OPReactantPairId: 2948, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCC(C)[NH:10]C.CCC(C)NC.[CH3:20][I:21].CI

OrbPairId : 3080, Prediction : 0.000000

Neg data

OPReactantPairId: 1939, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](O)([OH:10])[Cl:21].CC(O)(O)Cl

OrbPairId : 3843, Prediction : 0.000000

Neg data

OPReactantPairId: 3064, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:10][C:11](C)(C)[CH+:20]CC.CC[CH+]C(C)C

OrbPairId : 3221, Prediction : 0.000000

Neg data

OPReactantPairId: 1791, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](CCC(=O)C)([OH:10])[Cl:21].CCNC(CCC(=O)C)(O)Cl

OrbPairId : 1809, Prediction : 0.000000

Neg data

OPReactantPairId: 2245, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](CC(=O)O)(O)[OH:10].CC[OH+]C(CC(=O)O)(O)O

OrbPairId : 2298, Prediction : 0.000000

Neg data

OPReactantPairId: 2720, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CC[CH2:20][Br:21].CCCBr.CC(C)[O-:10].CC(C)[O-]

OrbPairId : 2822, Prediction : 0.000000
[H:20][CH:21](C)[CH2:22][Br:23].CCCBr.CC(C)[O-:10].CC(C)[O-]

OrbPairId : 2824, Prediction : 0.000000

Neg data

OPReactantPairId: 2249, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1CCC2(C1)CCC[CH:20]2[OH2+:21].C1CCC2(C1)CCCC2[OH2+]

OrbPairId : 2302, Prediction : 0.000000

Neg data

OPReactantPairId: 2916, ReactionConditionsId: 7

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)Cl.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.C1=CC=C(C=C1)CC(=O)CC(=O)Cl

OrbPairId : 3042, Prediction : 0.000000
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])Cl.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.C1=CC=C(C=C1)CC(=O)CC(=O)Cl

OrbPairId : 3043, Prediction : 0.000000

Neg data

OPReactantPairId: 2133, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](CC#[C-])[CH2:22][Br:23].[C-]#CCCCBr.[NH2-:10].[NH2-]

OrbPairId : 2172, Prediction : 0.000000

Neg data

OPReactantPairId: 1531, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].C=C[CH:11]=[CH2:10].C=CC=C.Br

OrbPairId : 1527, Prediction : 0.000000

Neg data

OPReactantPairId: 2726, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C=C)([O-:10])[Cl:21].CCOC(C=C)([O-])Cl

OrbPairId : 3236, Prediction : 0.000000

Neg data

OPReactantPairId: 2269, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[NH2+:21])O.CC(=[NH2+])O.[OH2:10].O

OrbPairId : 3818, Prediction : 0.000000

Neg data

OPReactantPairId: 2726, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C=C)([O-:10])[Cl:21].CCOC(C=C)([O-])Cl

OrbPairId : 2829, Prediction : 0.000000

Neg data

OPReactantPairId: 2910, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C:22](=[O:23])C(C)C.CCC(=O)C(C)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3035, Prediction : 0.000000

Neg data

OPReactantPairId: 2807, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH2:20][Br:21].CCCBr.CC[O-:10].CC[O-]

OrbPairId : 2918, Prediction : 0.000000

Neg data

OPReactantPairId: 2334, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC1([CH:20]([O:21]1)C)C.CCC1(C(O1)C)C.CC[O-:10].CC[O-]

OrbPairId : 4170, Prediction : 0.000000

Neg data

OPReactantPairId: 3163, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]C(C)CCCC(C)C(C)Br.CC(CCCC(C)O)C(C)Br

OrbPairId : 3537, Prediction : 0.000000

Neg data

OPReactantPairId: 1816, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](=[NH2+:21])OCC.CCC(=[NH2+])OCC.CC[OH:10].CCO

OrbPairId : 1835, Prediction : 0.000000

Neg data

OPReactantPairId: 2184, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2+:21][C:20](C)(C)[OH:10].CC[NH2+]C(C)(C)O

OrbPairId : 3777, Prediction : 0.000000

Neg data

OPReactantPairId: 1781, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1N(C)C)Br.CN(C)[C+]1C=CC=CC1Br.[Br-:10].[Br-]

OrbPairId : 1798, Prediction : 0.000000

Neg data

OPReactantPairId: 2336, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC(C)(C(C)OCC)[O-:10].CCC(C)(C(C)OCC)[O-].[OH3+]

OrbPairId : 2399, Prediction : 0.000000

Neg data

OPReactantPairId: 3262, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
COC1=CC=C(C=C1)[CH2+:20].COC1=CC=C(C=C1)[CH2+].CO[C:11]1=[CH:10]C=C(C=C1)CBr.COC1=CC=C(C=C1)CBr

OrbPairId : 3703, Prediction : 0.000000

Neg data

OPReactantPairId: 2330, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21]1CCC([C:22]1(C)[Br:23])Br.CC1(CCCC1Br)Br.[NH2-:10].[NH2-]

OrbPairId : 2390, Prediction : 0.000000
[H:20][CH:21]1CCC([CH:22]1[Br:23])(C)Br.CC1(CCCC1Br)Br.[NH2-:10].[NH2-]

OrbPairId : 2391, Prediction : 0.000000

Neg data

OPReactantPairId: 2267, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[C:1](=[NH:10])[OH:2].CC(=N)O.[OH3+]

OrbPairId : 2324, Prediction : 0.000000

Neg data

OPReactantPairId: 2274, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1C[C:20]2(CCC1C(C3=CC=CC=C3)(C4=CC=CC=C4)O)[OH+:21]CC[O:10]2.C1CC2(CCC1C(C3=CC=CC=C3)(C4=CC=CC=C4)O)[OH+]CCO2

OrbPairId : 2333, Prediction : 0.000000

Neg data

OPReactantPairId: 1549, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20]1(C[OH+:21]1)C.CCC1(C[OH+]1)C.CC[OH:10].CCO

OrbPairId : 1545, Prediction : 0.000000

Neg data

OPReactantPairId: 2267, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[C:1](=[NH:10])[OH:2].CC(=N)O.[OH3+]

OrbPairId : 3817, Prediction : 0.000000

Neg data

OPReactantPairId: 2716, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C=C[C:20](C#N)([O-:10])[Cl:21].C=CC(C#N)([O-])Cl

OrbPairId : 3443, Prediction : 0.000000

Neg data

OPReactantPairId: 1783, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1OC(=O)CC)Br.CCC(=O)O[C+]1C=CC=CC1Br.[Br-:10].[Br-]

OrbPairId : 1801, Prediction : 0.000000

Neg data

OPReactantPairId: 2716, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C=C[C:20](C#N)([O-:10])[Cl:21].C=CC(C#N)([O-])Cl

OrbPairId : 2818, Prediction : 0.000000

Neg data

OPReactantPairId: 2962, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)C(CC)(CC)C(C)C.CCC(CC)(C(C)C)[NH2+]C.[I-:10].[I-]

OrbPairId : 3093, Prediction : 0.000000

Neg data

OPReactantPairId: 3319, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH2+:21]O.CC(C)(NO)[O-:10].CC(C)(NO)[O-].[NH3+]O

OrbPairId : 3903, Prediction : 0.000000

Neg data

OPReactantPairId: 3400, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1OCC)C(C)C.CCO[C+]1C=CC=CC1C(C)C.[F-:10].[F-]

OrbPairId : 3992, Prediction : 0.000000

Neg data

OPReactantPairId: 2350, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH:22](C(=O)C)[Br:23].CC(C(=O)C)Br.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 2414, Prediction : 0.000000

Neg data

OPReactantPairId: 2350, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH:22](C(=O)C)[Br:23].CC(C(=O)C)Br.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 3415, Prediction : 0.000000

Neg data

OPReactantPairId: 1766, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CCC(=O)O[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CCC(=O)OC1=CC=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 3614, Prediction : 0.000000
CCC(=O)O[C:11]1=[CH:10]C=CC=C1.CCC(=O)OC1=CC=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 3615, Prediction : 0.000000

Neg data

OPReactantPairId: 2340, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)CC=C(NCC)[O-].CC[NH2+]CC=C(NCC)[O-].[OH2:10].O

OrbPairId : 2404, Prediction : 0.000000

Neg data

OPReactantPairId: 2090, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[N+:21](C)C.CC=[N+](C)C.[OH2:10].O

OrbPairId : 3898, Prediction : 0.000000

Neg data

OPReactantPairId: 1789, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[C:20](=[O:21])Cl.CC(=O)Cl

OrbPairId : 1806, Prediction : 0.000000

Neg data

OPReactantPairId: 2964, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH3:20][I:21].CI.C1=CC=C(C=C1)C[NH2:10].C1=CC=C(C=C1)CN

OrbPairId : 3097, Prediction : 0.000000

Neg data

OPReactantPairId: 3539, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)C.CC[O-:10].CC[O-].CC(=O)O

OrbPairId : 4148, Prediction : 0.000000

Neg data

OPReactantPairId: 3458, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C1=CC=CC=C1)([C:22](=[O:23])C)C(C)(CC2=CC=CC=C2)O.CC[O-:10].CC[O-].CC(=O)C(C1=CC=CC=C1)C(C)(CC2=CC=CC=C2)O

OrbPairId : 4062, Prediction : 0.000000

Neg data

OPReactantPairId: 3799, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C.CO.C1CCC2(C(C1)CCC[NH2+]2)[O-:10].C1CCC2(C(C1)CCC[NH2+]2)[O-]

OrbPairId : 4440, Prediction : 0.000000

Neg data

OPReactantPairId: 1620, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C=[C+:20]C1=CC=CC=C1.C=[C+]C1=CC=CC=C1.C#C[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.C#CC1=CC=CC=C1

OrbPairId : 3999, Prediction : 0.000000
C=[C+:20]C1=CC=CC=C1.C=[C+]C1=CC=CC=C1.C#C[C:11]1=[CH:10]C=CC=C1.C#CC1=CC=CC=C1

OrbPairId : 4001, Prediction : 0.000000

Neg data

OPReactantPairId: 2342, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCNC[CH:10]=[C:11](NCC)[O-:12].CCNCC=C(NCC)[O-].[OH3+]

OrbPairId : 2406, Prediction : 0.000000

Neg data

OPReactantPairId: 1740, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:22]=[CH:23][C+:24](C2=CC=CC=C21)C)Br.C[C+]1C=CC(C2=CC=CC=C21)Br.[Br-:10].[Br-]

OrbPairId : 1753, Prediction : 0.000000

Neg data

OPReactantPairId: 1834, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C)([OH:10])[O:21]C(=O)CCC=O.CCNC(C)(O)OC(=O)CCC=O

OrbPairId : 1855, Prediction : 0.000000

Neg data

OPReactantPairId: 2722, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH:10]C(=O)OC)[O-:12].CC(=CC(=O)OC)[O-].[CH3:20][Br:21].CBr

OrbPairId : 3255, Prediction : 0.000000

Neg data

OPReactantPairId: 1832, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[C:20](=[O:21])OC(=O)CCC=O.CC(=O)OC(=O)CCC=O

OrbPairId : 1852, Prediction : 0.000000
CC[NH2:10].CCN.CC(=O)O[C:20](=[O:21])CCC=O.CC(=O)OC(=O)CCC=O

OrbPairId : 1854, Prediction : 0.000000

Neg data

OPReactantPairId: 2722, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH:10]C(=O)OC)[O-:12].CC(=CC(=O)OC)[O-].[CH3:20][Br:21].CBr

OrbPairId : 2825, Prediction : 0.000000

Neg data

OPReactantPairId: 2809, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH:10]C(=O)OC)[O-:12].CC(=CC(=O)OC)[O-].C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr

OrbPairId : 2919, Prediction : 0.000000

Neg data

OPReactantPairId: 1742, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[C:22](=[O:23])[CH:21]=[CH2:20].CC(=O)C=C

OrbPairId : 2644, Prediction : 0.000000

Neg data

OPReactantPairId: 2809, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH:10]C(=O)OC)[O-:12].CC(=CC(=O)OC)[O-].C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr

OrbPairId : 3401, Prediction : 0.000000

Neg data

OPReactantPairId: 1742, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[C:22](=[O:23])[CH:21]=[CH2:20].CC(=O)C=C

OrbPairId : 1755, Prediction : 0.000000

Neg data

OPReactantPairId: 2914, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C[O-])[CH2:22][Br:23].CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.C(C[O-])CBr

OrbPairId : 3039, Prediction : 0.000000

Neg data

OPReactantPairId: 1620, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C=[C+:20]C1=CC=CC=C1.C=[C+]C1=CC=CC=C1.C#C[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.C#CC1=CC=CC=C1

OrbPairId : 1620, Prediction : 0.000000
C=[C+:20]C1=CC=CC=C1.C=[C+]C1=CC=CC=C1.C#C[C:11]1=[CH:10]C=CC=C1.C#CC1=CC=CC=C1

OrbPairId : 1623, Prediction : 0.000000

Neg data

OPReactantPairId: 2475, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCCCOCC[O-:10].CCCCOCC[O-].CCC[CH2:20][Br:21].CCCCBr

OrbPairId : 2554, Prediction : 0.000000

Neg data

OPReactantPairId: 1482, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C=CC[CH2:20][OH2+:21].C=CCC[OH2+].[Br-:10].[Br-]

OrbPairId : 1470, Prediction : 0.000000

Neg data

OPReactantPairId: 3529, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([C:10]1=[C:11](CCC1)[O-:12])[OH:21].CC(C1=C(CCC1)[O-])O

OrbPairId : 4136, Prediction : 0.000000

Neg data

OPReactantPairId: 2364, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])NC.CC[O-:10].CC[O-].CNC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 2432, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)NC.CC[O-:10].CC[O-].CNC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 2434, Prediction : 0.000000

Neg data

OPReactantPairId: 2364, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])NC.CC[O-:10].CC[O-].CNC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3230, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)NC.CC[O-:10].CC[O-].CNC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3231, Prediction : 0.000000

Neg data

OPReactantPairId: 1924, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C2=C([C+:22]1OC)C=CC=C2)Br)Br.CO[C+]1C(C=C(C2=C1C=CC=C2)Br)Br.[Br-:10].[Br-]

OrbPairId : 1950, Prediction : 0.000000

Neg data

OPReactantPairId: 1802, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20](C)CCCC[OH:10].C[C+](C)CCCCO

OrbPairId : 1820, Prediction : 0.000000

Neg data

OPReactantPairId: 3787, ReactionConditionsId: 5

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:21][CH:20](C)[O-:10].CCOC(C)[O-]

OrbPairId : 4427, Prediction : 0.000000

Neg data

OPReactantPairId: 3375, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.[CH:11]1=[CH:10]C2=CC=C(C=C2C=C1)[N+](=O)[O-].C1=CC2=CC=C(C=C2C=C1)[N+](=O)[O-]

OrbPairId : 3965, Prediction : 0.000000
C[CH+:20]C.C[CH+]C.C1=CC2=CC=C(C=C2[CH:10]=[CH:11]1)[N+](=O)[O-].C1=CC2=CC=C(C=C2C=C1)[N+](=O)[O-]

OrbPairId : 3966, Prediction : 0.000000

Neg data

OPReactantPairId: 2972, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](C)(C)CC1=CC=CC=C1.C[NH+](C)CC1=CC=CC=C1.[I-:10].[I-]

OrbPairId : 3103, Prediction : 0.000000

Neg data

OPReactantPairId: 1800, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.[CH2:20]=[CH:21][CH:22]=[O:23].C=CC=O

OrbPairId : 2447, Prediction : 0.000000

Neg data

OPReactantPairId: 3785, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C.CC(C)[O-:10].CC(C)[O-].CO

OrbPairId : 4424, Prediction : 0.000000

Neg data

OPReactantPairId: 3404, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][F:21].[CH:10]#[C:11]C1=CC=CC=C1.C#CC1=CC=CC=C1.F

OrbPairId : 3997, Prediction : 0.000000

Neg data

OPReactantPairId: 2479, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[CH:20](C(=O)C)[Br:21].CC(C(=O)C)Br

OrbPairId : 2558, Prediction : 0.000000

Neg data

OPReactantPairId: 2479, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[CH:20](C(=O)C)[Br:21].CC(C(=O)C)Br

OrbPairId : 3298, Prediction : 0.000000

Neg data

OPReactantPairId: 2970, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[NH:10]CC1=CC=CC=C1.CNCC1=CC=CC=C1.[CH3:20][I:21].CI

OrbPairId : 3102, Prediction : 0.000000

Neg data

OPReactantPairId: 2455, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1=CC=C(C=C1)CC(=CC(=O)[O-:10])O.C1=CC=C(C=C1)CC(=CC(=O)[O-])O.[OH3+]

OrbPairId : 2531, Prediction : 0.000000

Neg data

OPReactantPairId: 3113, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CCBr.C(CBr)O

OrbPairId : 3471, Prediction : 0.000000

Neg data

OPReactantPairId: 3406, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1NC(=O)CC)C(C)C.CCC(=O)N[C+]1C=CC=CC1C(C)C.[F-:10].[F-]

OrbPairId : 4000, Prediction : 0.000000

Neg data

OPReactantPairId: 2960, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[NH:10]C.CNC.[CH3:20][I:21].CI

OrbPairId : 3092, Prediction : 0.000000

Neg data

OPReactantPairId: 3783, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C.CO.C#CC[O-:10].C#CC[O-]

OrbPairId : 4422, Prediction : 0.000000

Neg data

OPReactantPairId: 3279, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.CO[C:11]1=[CH:10]C2=C(C=CC=C2)C=C1.COC1=CC2=C(C=CC=C2)C=C1

OrbPairId : 3776, Prediction : 0.000000

Neg data

OPReactantPairId: 2457, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:10]=[C:11](CC[CH:20]=[O:21])[O-:12].C=C(CCC=O)[O-]

OrbPairId : 2533, Prediction : 0.000000

Neg data

OPReactantPairId: 2457, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:10]=[C:11](CC[CH:20]=[O:21])[O-:12].C=C(CCC=O)[O-]

OrbPairId : 3358, Prediction : 0.000000

Neg data

OPReactantPairId: 1960, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]1C([Br+:21]1)C.CCC1C([Br+]1)C.[Br-:10].[Br-]

OrbPairId : 1988, Prediction : 0.000000

Neg data

OPReactantPairId: 2467, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[N:10](CC)C(C)(O)O.CCN(CC)C(C)(O)O.[OH3+]

OrbPairId : 3884, Prediction : 0.000000

Neg data

OPReactantPairId: 2467, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[N:10](CC)C(C)(O)O.CCN(CC)C(C)(O)O.[OH3+]

OrbPairId : 2545, Prediction : 0.000000

Neg data

OPReactantPairId: 1530, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].C=CC=[O:10].C=CC=O.Br

OrbPairId : 1526, Prediction : 0.000000

Neg data

OPReactantPairId: 2694, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C[CH:20](C)[Cl:21].CC(C)Cl

OrbPairId : 2792, Prediction : 0.000000
[H:20][CH2:21][CH:22](C)[Cl:23].CC[O-:10].CC[O-].CC(C)Cl

OrbPairId : 2793, Prediction : 0.000000

Neg data

OPReactantPairId: 2940, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CCC(C=CC)[O-:10].CCC(C=CC)[O-].O

OrbPairId : 3072, Prediction : 0.000000

Neg data

OPReactantPairId: 3365, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])NC(CC1=CC=CC=C1)C(=O)O.CC(=[OH+])NC(CC1=CC=CC=C1)C(=O)O.[OH2:10].O

OrbPairId : 3953, Prediction : 0.000000

Neg data

OPReactantPairId: 3367, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC([NH:10]C(CC1=CC=CC=C1)C(=O)O)(O)O.CC(NC(CC1=CC=CC=C1)C(=O)O)(O)O.[OH3+]

OrbPairId : 3955, Prediction : 0.000000

Neg data

OPReactantPairId: 2946, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)C(C)CC.CCC(C)[NH2+]C.[I-:10].[I-]

OrbPairId : 3078, Prediction : 0.000000

Neg data

OPReactantPairId: 1486, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)C[CH2:20][OH2+:21].CC(C)CC[OH2+].[Br-:10].[Br-]

OrbPairId : 1476, Prediction : 0.000000

Neg data

OPReactantPairId: 1776, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CN(C)[C:11]1=[CH:10]C=C(C=C1Br)Br.CN(C)C1=CC=C(C=C1Br)Br.[Br:20][Br:21].BrBr

OrbPairId : 1794, Prediction : 0.000000

Neg data

OPReactantPairId: 2360, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[N:21]C.CC=NC.CC#[C-:10].CC#[C-]

OrbPairId : 2428, Prediction : 0.000000

Neg data

OPReactantPairId: 3068, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[CH:20](C)[Br:21].CC(C)C(C)Br

OrbPairId : 3249, Prediction : 0.000000

Neg data

OPReactantPairId: 3309, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.C1=C[CH:10]=[C:11]2C=CC=CC2=C1.C1=CC=C2C=CC=CC2=C1

OrbPairId : 3857, Prediction : 0.000000

Neg data

OPReactantPairId: 1484, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].C[C:10](=[CH:11]OC)C.CC(=COC)C.Br

OrbPairId : 1480, Prediction : 0.000000

Neg data

OPReactantPairId: 3468, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=CC=C2C#N)C(C)C.CC(C)C1[CH+]C=CC2=C1C=CC=C2C#N.[F-:10].[F-]

OrbPairId : 4072, Prediction : 0.000000

Neg data

OPReactantPairId: 2449, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C=C(CC1=CC=CC=C1)O)([O-:10])[O:21]C(=O)C2=CC=CC=C2.CCOC(C=C(CC1=CC=CC=C1)O)([O-])OC(=O)C2=CC=CC=C2

OrbPairId : 2525, Prediction : 0.000000

Neg data

OPReactantPairId: 2366, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][CH:10](C)C=C.[Li]C(C)C=C.C1[CH2:20][O:21]1.C1CO1

OrbPairId : 2435, Prediction : 0.000000

Neg data

OPReactantPairId: 2445, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH2+:21]C(C)([O-])OC(=O)C.CC(=O)OC(C)([NH3+])[O-].[OH2:10].O

OrbPairId : 2520, Prediction : 0.000000

Neg data

OPReactantPairId: 1720, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[CH+:22]OC.CC[CH+]OC.CC[OH:10].CCO

OrbPairId : 1731, Prediction : 0.000000
CC[CH+:20]OC.CC[CH+]OC.CC[OH:10].CCO

OrbPairId : 1732, Prediction : 0.000000

Neg data

OPReactantPairId: 2338, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20]1(C=C[N-:12][CH:11]=[CH:10]1)[Cl:21].CCOC1(C=C[N-]C=C1)Cl

OrbPairId : 4158, Prediction : 0.000000

Neg data

OPReactantPairId: 2338, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20]1(C=C[N-:12][CH:11]=[CH:10]1)[Cl:21].CCOC1(C=C[N-]C=C1)Cl

OrbPairId : 2401, Prediction : 0.000000

Neg data

OPReactantPairId: 2368, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(CC[O-:10])C=C.CC(CC[O-])C=C.[OH3+]

OrbPairId : 2437, Prediction : 0.000000

Neg data

OPReactantPairId: 2404, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CC(=O)C1CC[O:21][C:20]1([O-:10])OC.CC(=O)C1CCOC1([O-])OC

OrbPairId : 2476, Prediction : 0.000000
CC(=O)C1CCO[C:20]1([O-:10])[O:21]C.CC(=O)C1CCOC1([O-])OC

OrbPairId : 2478, Prediction : 0.000000

Neg data

OPReactantPairId: 2156, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](C)(C)[O:10]CC.CC[OH+]C(C)(C)OCC

OrbPairId : 2199, Prediction : 0.000000

Neg data

OPReactantPairId: 2443, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=C[C:20](=[O:21])OC(=O)C2=CC=CC=C2)O.C1=CC=C(C=C1)CC(=CC(=O)OC(=O)C2=CC=CC=C2)O

OrbPairId : 3224, Prediction : 0.000000
CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=CC(=O)O[C:20](=[O:21])C2=CC=CC=C2)O.C1=CC=C(C=C1)CC(=CC(=O)OC(=O)C2=CC=CC=C2)O

OrbPairId : 3225, Prediction : 0.000000

Neg data

OPReactantPairId: 2443, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=C[C:20](=[O:21])OC(=O)C2=CC=CC=C2)O.C1=CC=C(C=C1)CC(=CC(=O)OC(=O)C2=CC=CC=C2)O

OrbPairId : 2518, Prediction : 0.000000
CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=CC(=O)O[C:20](=[O:21])C2=CC=CC=C2)O.C1=CC=C(C=C1)CC(=CC(=O)OC(=O)C2=CC=CC=C2)O

OrbPairId : 2522, Prediction : 0.000000

Neg data

OPReactantPairId: 3044, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[CH+:22]O.CC[CH+]O.CC(C[OH:10])Br.CC(CO)Br

OrbPairId : 3181, Prediction : 0.000000
CC[CH+:20]O.CC[CH+]O.CC(C[OH:10])Br.CC(CO)Br

OrbPairId : 3184, Prediction : 0.000000

Neg data

OPReactantPairId: 2787, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21](CC)C(C)([O-])OC(=O)C=C.CC[OH+]C(C)([O-])OC(=O)C=C.[OH2:10].O

OrbPairId : 2896, Prediction : 0.000000

Neg data

OPReactantPairId: 2981, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[C:11](=[CH:10]Br)[OH:12].CC(=CBr)O.[OH3+]

OrbPairId : 3113, Prediction : 0.000000

Neg data

OPReactantPairId: 2158, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(C)OCC.CCOC(C)(C)[OH2+].[OH2:10].O

OrbPairId : 2201, Prediction : 0.000000

Neg data

OPReactantPairId: 2158, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(C)OCC.CCOC(C)(C)[OH2+].[OH2:10].O

OrbPairId : 3854, Prediction : 0.000000

Neg data

OPReactantPairId: 2690, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:21][C:20](C)(CC1=NC=CC=C1)[O-:10].CCOC(C)(CC1=NC=CC=C1)[O-]

OrbPairId : 2788, Prediction : 0.000000

Neg data

OPReactantPairId: 1941, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:11]1=[CH:10]C=C2C=CC=CC2=C1Br.COC1=CC=C2C=CC=CC2=C1Br.[Br:20][Br:21].BrBr

OrbPairId : 3658, Prediction : 0.000000

Neg data

OPReactantPairId: 2408, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](CC(=O)CC1=CC=CC=C1)([O-:10])[Cl:21].CCOC(CC(=O)CC1=CC=CC=C1)([O-])Cl

OrbPairId : 2481, Prediction : 0.000000

Neg data

OPReactantPairId: 2789, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21](CC)C(C=C)([O-])OC(=O)C.CC[OH+]C(C=C)([O-])OC(=O)C.[OH2:10].O

OrbPairId : 2898, Prediction : 0.000000

Neg data

OPReactantPairId: 3363, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](C(CC1=CC=CC=C1)NC(=O)C)(O)[OH:10].CC[OH+]C(C(CC1=CC=CC=C1)NC(=O)C)(O)O

OrbPairId : 3951, Prediction : 0.000000

Neg data

OPReactantPairId: 1929, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC(=C[CH:10]=[C:11]1O)Br.C1=CC(=CC=C1O)Br.[Br:20][Br:21].BrBr

OrbPairId : 3627, Prediction : 0.000000

Neg data

OPReactantPairId: 2459, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1C(CC[C:22]1=[O:23])O.C[O-:10].C[O-].C1CC(=O)CC1O

OrbPairId : 3359, Prediction : 0.000000

Neg data

OPReactantPairId: 2696, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCOC(=O)CC[C:20](C#N)([O-:10])[Cl:21].CCOC(=O)CCC(C#N)([O-])Cl

OrbPairId : 2795, Prediction : 0.000000

Neg data

OPReactantPairId: 2459, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1C(CC[C:22]1=[O:23])O.C[O-:10].C[O-].C1CC(=O)CC1O

OrbPairId : 2535, Prediction : 0.000000

Neg data

OPReactantPairId: 1860, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](C)([OH:10])OC.CC[OH+]C(C)(O)OC

OrbPairId : 1883, Prediction : 0.000000

Neg data

OPReactantPairId: 3795, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)CC.CC[NH2+]CC.CCN(CC)C(C)(C)[OH:10].CCN(CC)C(C)(C)O

OrbPairId : 4436, Prediction : 0.000000

Neg data

OPReactantPairId: 1685, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10]CC.CCNCC.C[CH:20]=[N+:21](C)C.CC=[N+](C)C

OrbPairId : 1695, Prediction : 0.000000

Neg data

OPReactantPairId: 2698, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CC[O:21][C:20](CCC(=O)N(C)C)([O-:10])OC.CCOC(CCC(=O)N(C)C)([O-])OC

OrbPairId : 2797, Prediction : 0.000000
CCO[C:20](CCC(=O)N(C)C)([O-:10])[O:21]C.CCOC(CCC(=O)N(C)C)([O-])OC

OrbPairId : 2798, Prediction : 0.000000

Neg data

OPReactantPairId: 1804, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1CCCC[C:20]1=[O:21].CC1CCCCC1=O.C1CC[NH:10]C1.C1CCNC1

OrbPairId : 1822, Prediction : 0.000000

Neg data

OPReactantPairId: 2698, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC[O:21][C:20](CCC(=O)N(C)C)([O-:10])OC.CCOC(CCC(=O)N(C)C)([O-])OC

OrbPairId : 3362, Prediction : 0.000000
CCO[C:20](CCC(=O)N(C)C)([O-:10])[O:21]C.CCOC(CCC(=O)N(C)C)([O-])OC

OrbPairId : 3363, Prediction : 0.000000

Neg data

OPReactantPairId: 1473, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CCC1(C([O:10]1)C)C.CCC1(C(O1)C)C.Br

OrbPairId : 1468, Prediction : 0.000000

Neg data

OPReactantPairId: 3797, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)C(C)(C)O.CC[NH2:10].CCN.CC[NH2+]C(C)(C)O

OrbPairId : 4438, Prediction : 0.000000

Neg data

OPReactantPairId: 2055, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH+:22]C=CCC.CCC=C[CH+]C.[OH2:10].O

OrbPairId : 2089, Prediction : 0.000000
CCC=C[CH+:20]C.CCC=C[CH+]C.[OH2:10].O

OrbPairId : 2090, Prediction : 0.000000

Neg data

OPReactantPairId: 2729, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH2-:10]C1=CC=NC=C1.[CH2-]C1=CC=NC=C1.[CH2:20]=[O:21].C=O

OrbPairId : 2832, Prediction : 0.000000

Neg data

OPReactantPairId: 1626, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[C:20](=[OH+:21])Cl.CC(=[OH+])Cl

OrbPairId : 1627, Prediction : 0.000000

Neg data

OPReactantPairId: 1681, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[C:20](=[OH+:21])N.CC(=[OH+])N

OrbPairId : 1691, Prediction : 0.000000

Neg data

OPReactantPairId: 1663, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[N:10](CC)[CH:20](C)[NH2+:21]C.CCN(CC)C(C)[NH2+]C

OrbPairId : 1668, Prediction : 0.000000

Neg data

OPReactantPairId: 2644, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C[CH2:20][Br:21].CCBr

OrbPairId : 2741, Prediction : 0.000000

Neg data

OPReactantPairId: 2288, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[C:20](=[O:21])Cl.CC(=O)Cl

OrbPairId : 3240, Prediction : 0.000000

Neg data

OPReactantPairId: 1699, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]CCC[C:11]1=[CH:10]C=CC=C1.C[CH+]CCCC1=CC=CC=C1

OrbPairId : 3917, Prediction : 0.000000

Neg data

OPReactantPairId: 1699, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]CCC[C:11]1=[CH:10]C=CC=C1.C[CH+]CCCC1=CC=CC=C1

OrbPairId : 1709, Prediction : 0.000000

Neg data

OPReactantPairId: 1898, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C(C)C)OC.CC(C)C([OH2+])OC.[OH2:10].O

OrbPairId : 1924, Prediction : 0.000000

Neg data

OPReactantPairId: 2057, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[OH+:21])C=C.CCOC(=[OH+])C=C.[OH2:10].O

OrbPairId : 2092, Prediction : 0.000000

Neg data

OPReactantPairId: 2447, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](C)(N)[O-:10].CC(=O)OC(C)(N)[O-]

OrbPairId : 3435, Prediction : 0.000000

Neg data

OPReactantPairId: 3698, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](CCCCBr)(C(=O)C)[C:22](=[O:23])C.CC(=O)C(CCCCBr)C(=O)C.[OH-:10].[OH-]

OrbPairId : 4330, Prediction : 0.000000

Neg data

OPReactantPairId: 2447, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](C)(N)[O-:10].CC(=O)OC(C)(N)[O-]

OrbPairId : 2523, Prediction : 0.000000

Neg data

OPReactantPairId: 2288, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[C:20](=[O:21])Cl.CC(=O)Cl

OrbPairId : 2347, Prediction : 0.000000

Neg data

OPReactantPairId: 1722, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[CH:20]1C[Br+:21]1.CC(C)C1C[Br+]1.[Br-:10].[Br-]

OrbPairId : 1734, Prediction : 0.000000

Neg data

OPReactantPairId: 2800, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[Li:11][O:10]C(CCC(=O)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.[Li]OC(CCC(=O)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.[OH3+]

OrbPairId : 2909, Prediction : 0.000000

Neg data

OPReactantPairId: 3739, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH2:20][Br:21].CCCBr.[OH-:10].[OH-]

OrbPairId : 4372, Prediction : 0.000000

Neg data

OPReactantPairId: 1693, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[C:20](=[OH+:21])C.CC(=[OH+])C

OrbPairId : 1703, Prediction : 0.000000

Neg data

OPReactantPairId: 2071, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C1(CCCCO1)O.C1CCOC(C1)([OH2+])O.[OH2:10].O

OrbPairId : 3845, Prediction : 0.000000

Neg data

OPReactantPairId: 3620, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[N-:12][CH:11]=[CH:10][C:20]1(O)[Cl:21].C1=C[N-]C=CC1(O)Cl

OrbPairId : 4239, Prediction : 0.000000

Neg data

OPReactantPairId: 2071, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C1(CCCCO1)O.C1CCOC(C1)([OH2+])O.[OH2:10].O

OrbPairId : 2108, Prediction : 0.000000

Neg data

OPReactantPairId: 2043, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(CC)CO.CCC(C)(CO)[OH2+].[OH2:10].O

OrbPairId : 2077, Prediction : 0.000000

Neg data

OPReactantPairId: 1891, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[OH+:21])C.CCOC(=[OH+])C.[OH2:10].O

OrbPairId : 1917, Prediction : 0.000000

Neg data

OPReactantPairId: 1691, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CC(=O)O[C:20](=[OH+:21])C=C.CC(=O)OC(=[OH+])C=C

OrbPairId : 1701, Prediction : 0.000000

Neg data

OPReactantPairId: 3311, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)Br.C1=CC=C(C=C1)Br

OrbPairId : 3859, Prediction : 0.000000
C[C+:20]=O.C[C+]=O.C1=C[CH:10]=[C:11](C=C1)Br.C1=CC=C(C=C1)Br

OrbPairId : 3860, Prediction : 0.000000

Neg data

OPReactantPairId: 3408, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.CO[C:13]1=[C:12]2C=CC=C[C:11]2=[CH:10]C=C1.COC1=C2C=CC=CC2=CC=C1

OrbPairId : 4003, Prediction : 0.000000

Neg data

OPReactantPairId: 3729, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C1=C(C=CC=C1)[N+](=O)[O-].C1=CC(=C(C=C1)O)[N+](=O)[O-].[OH-:10].[OH-]

OrbPairId : 4361, Prediction : 0.000000

Neg data

OPReactantPairId: 2041, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)CO.CC(CO)[OH2+].[OH2:10].O

OrbPairId : 2075, Prediction : 0.000000

Neg data

OPReactantPairId: 1697, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[O+:21]C.CC=[O+]C.C[OH:10].CO

OrbPairId : 1707, Prediction : 0.000000

Neg data

OPReactantPairId: 3583, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].[CH2:20]=[O:21].C=O

OrbPairId : 4199, Prediction : 0.000000

Neg data

OPReactantPairId: 1710, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1[C:20]([Br+:21]1)(C)C.CC1C([Br+]1)(C)C.[Br-:10].[Br-]

OrbPairId : 1721, Prediction : 0.000000

Neg data

OPReactantPairId: 3313, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CCO[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CCOC1=CC=CC=C1.C[C+:20]=O.C[C+]=O

OrbPairId : 3862, Prediction : 0.000000
CCO[C:11]1=[CH:10]C=CC=C1.CCOC1=CC=CC=C1.C[C+:20]=O.C[C+]=O

OrbPairId : 3863, Prediction : 0.000000

Neg data

OPReactantPairId: 3198, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
CCC[O:21][CH:20](C)[O-:10].CCCOC(C)[O-]

OrbPairId : 3582, Prediction : 0.000000

Neg data

OPReactantPairId: 1665, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]CC1=CC=CC=C1.C[CH+]CC1=CC=CC=C1.C=CC[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.C=CCC1=CC=CC=C1

OrbPairId : 4009, Prediction : 0.000000
C[CH+:20]CC1=CC=CC=C1.C[CH+]CC1=CC=CC=C1.C=CC[C:11]1=[CH:10]C=CC=C1.C=CCC1=CC=CC=C1

OrbPairId : 4011, Prediction : 0.000000

Neg data

OPReactantPairId: 1866, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:10][CH:20](CCCCCCC(=O)C)[OH2+:21].CCOC(CCCCCCC(=O)C)[OH2+]

OrbPairId : 1889, Prediction : 0.000000

Neg data

OPReactantPairId: 2047, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=CCCO.C(CO)C=[OH+].[OH2:10].O

OrbPairId : 2081, Prediction : 0.000000

Neg data

OPReactantPairId: 1671, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CC[O+:21]=[C:20](C)C.CC[O+]=C(C)C

OrbPairId : 1678, Prediction : 0.000000

Neg data

OPReactantPairId: 2138, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C:22](C)(Br)[Br:23].CCC(C)(Br)Br.[NH2-:10].[NH2-]

OrbPairId : 2178, Prediction : 0.000000

Neg data

OPReactantPairId: 2584, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)C(C)([O-])OC(=O)CCC=O.CC([NH2+]C)([O-])OC(=O)CCC=O.[OH2:10].O

OrbPairId : 2677, Prediction : 0.000000

Neg data

OPReactantPairId: 3192, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH2:21][C:22](=[O:23])C.CC(=O)C

OrbPairId : 3576, Prediction : 0.000000

Neg data

OPReactantPairId: 3301, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.C[C:13]1=[C:12]2C=CC=C[C:11]2=[CH:10]C=C1.CC1=C2C=CC=CC2=CC=C1

OrbPairId : 3833, Prediction : 0.000000

Neg data

OPReactantPairId: 2791, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C(C[CH2:20][Br:21])CBr.C(CCBr)CBr

OrbPairId : 2900, Prediction : 0.000000

Neg data

OPReactantPairId: 2063, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C=[C+:20]C1=CC=CC=C1.C=[C+]C1=CC=CC=C1.[OH2:10].O

OrbPairId : 2098, Prediction : 0.000000

Neg data

OPReactantPairId: 3713, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(C)(C[N+](=O)[O-])[O-:10].CC(C)(C[N+](=O)[O-])[O-].O

OrbPairId : 4345, Prediction : 0.000000

Neg data

OPReactantPairId: 3715, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C(C)(C)O)[N+](=O)[O-].CC(C)(C[N+](=O)[O-])O.[OH-:10].[OH-]

OrbPairId : 4347, Prediction : 0.000000

Neg data

OPReactantPairId: 3190, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH:21](C)[C:22](=[O:23])C.CCC(=O)C

OrbPairId : 3574, Prediction : 0.000000

Neg data

OPReactantPairId: 2085, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])NC.CC(=[OH+])NC.[OH2:10].O

OrbPairId : 3746, Prediction : 0.000000

Neg data

OPReactantPairId: 3307, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.C1=CC2=C(C=C1)[C:13](=[CH:12][CH:11]=[CH:10]2)Br.C1=CC2=C(C=C1)C(=CC=C2)Br

OrbPairId : 3849, Prediction : 0.000000

Neg data

OPReactantPairId: 3196, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C[O:21][CH:20](CC1OCCO1)[O-:10].COC(CC1OCCO1)[O-]

OrbPairId : 3580, Prediction : 0.000000

Neg data

OPReactantPairId: 3305, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)C[C+:20]=O.C1=CC=C(C=C1)C[C+]=O.[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)CC(=O)Cl.C1=CC=C(C=C1)CC(=O)Cl

OrbPairId : 3837, Prediction : 0.000000
C1=CC=C(C=C1)C[C+:20]=O.C1=CC=C(C=C1)C[C+]=O.C1=C[CH:10]=[C:11](C=C1)CC(=O)Cl.C1=CC=C(C=C1)CC(=O)Cl

OrbPairId : 3838, Prediction : 0.000000

Neg data

OPReactantPairId: 1488, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].C1C=CC[CH:11]=[CH:10]1.C1C=CCC=C1.Br

OrbPairId : 1486, Prediction : 0.000000

Neg data

OPReactantPairId: 1967, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC=[C+:20]C.CC=[C+]C.[OH2:10].O

OrbPairId : 1995, Prediction : 0.000000

Neg data

OPReactantPairId: 1808, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C

OrbPairId : 2723, Prediction : 0.000000

Neg data

OPReactantPairId: 2073, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(CCCCO)O.C(CCO)CC(=[OH+])O.[OH2:10].O

OrbPairId : 2110, Prediction : 0.000000

Neg data

OPReactantPairId: 2073, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(CCCCO)O.C(CCO)CC(=[OH+])O.[OH2:10].O

OrbPairId : 3848, Prediction : 0.000000

Neg data

OPReactantPairId: 1971, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(N)O.CC(N)([OH2+])O.[OH2:10].O

OrbPairId : 3819, Prediction : 0.000000

Neg data

OPReactantPairId: 3223, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21](C(=O)CC)C(C)([O-])OC(=O)C.CCC(=O)[OH+]C(C)([O-])OC(=O)C.CC(=O)[O-:10].CC(=O)[O-]

OrbPairId : 3609, Prediction : 0.000000

Neg data

OPReactantPairId: 1971, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(N)O.CC(N)([OH2+])O.[OH2:10].O

OrbPairId : 1999, Prediction : 0.000000

Neg data

OPReactantPairId: 3087, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[CH:20](CC=C(C)C)[Cl:21].CC(C)C(CC=C(C)C)Cl

OrbPairId : 3342, Prediction : 0.000000

Neg data

OPReactantPairId: 1558, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O+:21]CC[OH:10])C.CC(=[O+]CCO)C

OrbPairId : 1554, Prediction : 0.000000

Neg data

OPReactantPairId: 2134, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[N-:12][CH:11]=[CH:10][C:20]1(N)[Cl:21].C1=C[N-]C=CC1(N)Cl

OrbPairId : 2173, Prediction : 0.000000

Neg data

OPReactantPairId: 1625, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.[CH:11]1=[CH:10]C=CC=C1.C1=CC=CC=C1

OrbPairId : 1626, Prediction : 0.000000

Neg data

OPReactantPairId: 1952, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C)C.CC(=[OH+])C.[OH2:10].O

OrbPairId : 3737, Prediction : 0.000000

Neg data

OPReactantPairId: 2795, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.CCO[C:20](=[O:21])CCC(=O)N(C)C.CCOC(=O)CCC(=O)N(C)C

OrbPairId : 2904, Prediction : 0.000000

Neg data

OPReactantPairId: 2067, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C1(CCCCC1C)C.CC1CCCCC1(C)[OH2+].[OH2:10].O

OrbPairId : 2103, Prediction : 0.000000

Neg data

OPReactantPairId: 2886, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C(CC[O-])C[CH:10]=[CH:11][O-:12].C(CC[O-])CC=C[O-].[Br:20][Br:21].BrBr

OrbPairId : 3009, Prediction : 0.000000

Neg data

OPReactantPairId: 2061, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC1(CCCC1)[CH:11]=[CH2:10].CC1(CCCC1)C=C.[OH3+]

OrbPairId : 2096, Prediction : 0.000000

Neg data

OPReactantPairId: 3711, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC1([CH:20]([O:21]1)C)C.CCC1(C(O1)C)C.[OH-:10].[OH-]

OrbPairId : 4343, Prediction : 0.000000

Neg data

OPReactantPairId: 2793, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1=CC(=NC=C1)CC[O-:10].C1=CC(=NC=C1)CC[O-].[OH3+]

OrbPairId : 2902, Prediction : 0.000000

Neg data

OPReactantPairId: 3124, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][C:21]1(C(=O)CC[C:22]1=[O:23])C.CC1C(=O)CCC1=O

OrbPairId : 3490, Prediction : 0.000000

Neg data

OPReactantPairId: 1961, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC(=O)N[C:13]1=[C:12]([CH:11]=[CH:10]C=C1)Br.CCC(=O)NC1=C(C=CC=C1)Br.[Br:20][Br:21].BrBr

OrbPairId : 1989, Prediction : 0.000000

Neg data

OPReactantPairId: 3690, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[C:20]([N-:10]C=C1)(O)[Cl:21].C1=CC([N-]C=C1)(O)Cl

OrbPairId : 4320, Prediction : 0.000000

Neg data

OPReactantPairId: 1961, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCC(=O)N[C:13]1=[C:12]([CH:11]=[CH:10]C=C1)Br.CCC(=O)NC1=C(C=CC=C1)Br.[Br:20][Br:21].BrBr

OrbPairId : 3633, Prediction : 0.000000

Neg data

OPReactantPairId: 3099, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC1CCCC([CH:20]1[Cl:21])C.CCC1CCCC(C1Cl)C

OrbPairId : 3419, Prediction : 0.000000

Neg data

OPReactantPairId: 1894, ReactionConditionsId: 8

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[OH+:23])O.CC(=[OH+])O.[OH2:10].O

OrbPairId : 2982, Prediction : 0.000000
C[C:20](=[OH+:21])O.CC(=[OH+])O.[OH2:10].O

OrbPairId : 2985, Prediction : 0.000000

Neg data

OPReactantPairId: 3737, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C=C[C:20](O)([O-:10])[Cl:21].C=CC(O)([O-])Cl

OrbPairId : 4370, Prediction : 0.000000

Neg data

OPReactantPairId: 1894, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C)O.CC(=[OH+])O.[OH2:10].O

OrbPairId : 3742, Prediction : 0.000000

Neg data

OPReactantPairId: 3692, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C1=NC=CC=C1.C1=CC(=NC=C1)O.[OH-:10].[OH-]

OrbPairId : 4323, Prediction : 0.000000

Neg data

OPReactantPairId: 1463, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CC=C[CH:11]=[CH:10]C.CC=CC=CC.Br

OrbPairId : 1455, Prediction : 0.000000

Neg data

OPReactantPairId: 2069, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C1(CCCC1)C(C)C.CC(C)C1(CCCC1)[OH2+].[OH2:10].O

OrbPairId : 2106, Prediction : 0.000000

Neg data

OPReactantPairId: 3735, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCCC1(C)O)[C:22](=[O:23])C.CC(=O)C1CCCC1(C)O.[OH-:10].[OH-]

OrbPairId : 4368, Prediction : 0.000000

Neg data

OPReactantPairId: 2488, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.[CH-:10](C#N)C#N.[CH-](C#N)C#N

OrbPairId : 2568, Prediction : 0.000000

Neg data

OPReactantPairId: 2488, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.[CH-:10](C#N)C#N.[CH-](C#N)C#N

OrbPairId : 3390, Prediction : 0.000000

Neg data

OPReactantPairId: 1973, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C=C[CH:11]=[CH2:10].C=CC=C.[OH3+]

OrbPairId : 2000, Prediction : 0.000000

Neg data

OPReactantPairId: 3221, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](=[N:22][O:23]C(=O)C)C(CO)O.CC(=O)[O-:10].CC(=O)[O-].CC(=O)ON=CC(CO)O

OrbPairId : 3607, Prediction : 0.000000

Neg data

OPReactantPairId: 3085, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C=C[CH+:20]C1=CC=CC=C1.C=C[CH+]C1=CC=CC=C1

OrbPairId : 3331, Prediction : 0.000000

Neg data

OPReactantPairId: 3005, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(C)C(C1=CC=CC=C1)[O-:10].CC(C)C(C1=CC=CC=C1)[O-].O

OrbPairId : 3139, Prediction : 0.000000

Neg data

OPReactantPairId: 3723, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])C)C(C)(C)O.CC(=O)CC(C)(C)O.[OH-:10].[OH-]

OrbPairId : 4355, Prediction : 0.000000

Neg data

OPReactantPairId: 3063, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[N+:23]1CCCC1)CCCC=O.CC(=C)[N:10]1CCCC1.CC(=C)N1CCCC1.CC(=[N+]1CCCC1)CCCC=O

OrbPairId : 3220, Prediction : 0.000000

Neg data

OPReactantPairId: 2183, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[NH:10]C(C)(C)O.CCNC(C)(C)O.[OH3+]

OrbPairId : 3775, Prediction : 0.000000

Neg data

OPReactantPairId: 3112, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH2:21]C1=NC=CC=C1.CC1=NC=CC=C1

OrbPairId : 3470, Prediction : 0.000000

Neg data

OPReactantPairId: 2124, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
CC1=CC=C[C:21]#[C:20]1.CC1=CC=CC#C1.[NH2-:10].[NH2-]

OrbPairId : 2162, Prediction : 0.000000
CC1=CC=C[C:20]#[C:21]1.CC1=CC=CC#C1.[NH2-:10].[NH2-]

OrbPairId : 2163, Prediction : 0.000000

Neg data

OPReactantPairId: 3725, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC1(CCC(=O)C1)[O-:10].CC1(CCC(=O)C1)[O-].O

OrbPairId : 4357, Prediction : 0.000000

Neg data

OPReactantPairId: 1504, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1C[CH+:20]CC=C1.C1C[CH+]CC=C1.[Br-:10].[Br-]

OrbPairId : 1497, Prediction : 0.000000

Neg data

OPReactantPairId: 1502, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CCC1CC[C:11](=[CH:10]1)C.CCC1CCC(=C1)C.Br

OrbPairId : 1501, Prediction : 0.000000

Neg data

OPReactantPairId: 3128, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CC1CO1.C1C(O1)CO

OrbPairId : 3494, Prediction : 0.000000

Neg data

OPReactantPairId: 3231, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)C(=O)O[C:13]2=[C:12]([CH:11]=[CH:10]C=C2)Br.C1=CC=C(C=C1)C(=O)OC2=C(C=CC=C2)Br.[Br:20][Br:21].BrBr

OrbPairId : 3646, Prediction : 0.000000

Neg data

OPReactantPairId: 3618, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21]C#N.CC#N.[OH-:10].[OH-]

OrbPairId : 4237, Prediction : 0.000000

Neg data

OPReactantPairId: 2293, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:11]=[CH:10][CH+:20]C.CC=C[CH+]C

OrbPairId : 2352, Prediction : 0.000000

Neg data

OPReactantPairId: 1698, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.[CH2:20]=[CH:21][C:22](=[O:23])N.C=CC(=O)N

OrbPairId : 1708, Prediction : 0.000000

Neg data

OPReactantPairId: 3727, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[C:21](=[C:20](C=C1)Cl)[N+](=O)[O-].C1=CC(=C(C=C1)Cl)[N+](=O)[O-].[OH-:10].[OH-]

OrbPairId : 4359, Prediction : 0.000000

Neg data

OPReactantPairId: 3126, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CC.CCO

OrbPairId : 3492, Prediction : 0.000000

Neg data

OPReactantPairId: 2120, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C=C)(N)O.C=CC(N)([OH2+])O.[OH2:10].O

OrbPairId : 2158, Prediction : 0.000000

Neg data

OPReactantPairId: 1566, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:20]=[O:21].C=O.[C-:10]#N.[C-]#N

OrbPairId : 1562, Prediction : 0.000000

Neg data

OPReactantPairId: 3670, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC[CH:20](CC)[Br:21].CCC(CC)Br.[OH-:10].[OH-]

OrbPairId : 4293, Prediction : 0.000000
[H:20][CH:21](C)[CH:22](CC)[Br:23].CCC(CC)Br.[OH-:10].[OH-]

OrbPairId : 4295, Prediction : 0.000000

Neg data

OPReactantPairId: 3097, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](C)(C(C)C)[Br:21].CCC(C)(C(C)C)Br

OrbPairId : 3411, Prediction : 0.000000

Neg data

OPReactantPairId: 1532, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:10][CH:11]([CH+:20]C)OC.C[CH+]COC

OrbPairId : 2329, Prediction : 0.000000

Neg data

OPReactantPairId: 1900, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[CH:20]([OH:10])[OH+:21]C.CC(C)C(O)[OH+]C

OrbPairId : 1926, Prediction : 0.000000

Neg data

OPReactantPairId: 1959, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1NC(=O)CC)Br.CCC(=O)N[C+]1C=CC=CC1Br.[Br-:10].[Br-]

OrbPairId : 1987, Prediction : 0.000000

Neg data

OPReactantPairId: 2347, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C1C[CH:20]([O:21]C1)[O-:10].C1CC(OC1)[O-]

OrbPairId : 2411, Prediction : 0.000000

Neg data

OPReactantPairId: 1730, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])C.CC(=[OH+])C.C[C:11](=[CH2:10])[OH:12].CC(=C)O

OrbPairId : 1743, Prediction : 0.000000

Neg data

OPReactantPairId: 2100, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(CCC#N)O.C(CC(=[OH+])O)C#N.[OH2:10].O

OrbPairId : 2137, Prediction : 0.000000

Neg data

OPReactantPairId: 3616, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)NC)CC1=CC=CC=C1.CNC(=O)C=C(CC1=CC=CC=C1)O.[OH-:10].[OH-]

OrbPairId : 4235, Prediction : 0.000000

Neg data

OPReactantPairId: 3610, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C(C1=CC=CC=C1)O)[C:22](=[O:23])OCC.CC[O-:10].CC[O-].CCOC(=O)CC(C1=CC=CC=C1)O

OrbPairId : 4229, Prediction : 0.000000

Neg data

OPReactantPairId: 3095, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:10][C:11](C)([CH+:20]C)C1=CC=CC=C1.C[CH+]C(C)C1=CC=CC=C1

OrbPairId : 3403, Prediction : 0.000000

Neg data

OPReactantPairId: 2381, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]([NH+:21]1CCCCC1)[OH:10].CCC([NH+]1CCCCC1)O

OrbPairId : 2453, Prediction : 0.000000

Neg data

OPReactantPairId: 3707, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)C)[C:22](=[O:23])OCC.CCOC(=O)CC(=O)C.[OH-:10].[OH-]

OrbPairId : 4337, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])C)C(=O)OCC.CCOC(=O)CC(=O)C.[OH-:10].[OH-]

OrbPairId : 4339, Prediction : 0.000000

Neg data

OPReactantPairId: 2287, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].C=C[C:20](=[O:21])Cl.C=CC(=O)Cl

OrbPairId : 3441, Prediction : 0.000000

Neg data

OPReactantPairId: 2611, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C#N)([O-:10])[Cl:21].CC(C#N)([O-])Cl

OrbPairId : 3397, Prediction : 0.000000

Neg data

OPReactantPairId: 3382, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]12[CH:5]=[CH:6]C=C[C+:22]1OCCCC2C.CC1CCCO[C+]2C1C=CC=C2.[F-:10].[F-]

OrbPairId : 3973, Prediction : 0.000000

Neg data

OPReactantPairId: 3093, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH+:22]C1=CC=CC=C1.CC[OH:10].CCO.C[CH+]C1=CC=CC=C1

OrbPairId : 3386, Prediction : 0.000000
CC[OH:10].CCO.C[CH+:20]C1=CC=CC=C1.C[CH+]C1=CC=CC=C1

OrbPairId : 3388, Prediction : 0.000000

Neg data

OPReactantPairId: 2617, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.C[N:23]=[CH:22][CH:21]=[CH2:20].CN=CC=C

OrbPairId : 3457, Prediction : 0.000000

Neg data

OPReactantPairId: 3484, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[CH:22]=[O:23].CCC=O.CC[O-:10].CC[O-]

OrbPairId : 4089, Prediction : 0.000000

Neg data

OPReactantPairId: 3001, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(C)C(C)[O-:10].CC(C)C(C)[O-].O

OrbPairId : 3135, Prediction : 0.000000

Neg data

OPReactantPairId: 3380, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([C:5]2=[C:6](C=CC=C2)C=C[C+:22]1Br)C(C)C.CC(C)C1C2=C(C=CC=C2)C=C[C+]1Br.[F-:10].[F-]

OrbPairId : 3970, Prediction : 0.000000

Neg data

OPReactantPairId: 2281, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:10](=[C:11](C)[O-:12])C.CC(=C(C)[O-])C.C[C:20](=[O:21])Cl.CC(=O)Cl

OrbPairId : 2340, Prediction : 0.000000

Neg data

OPReactantPairId: 3386, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.C1=CC2=C(C=C1)[C:13](=[CH:12][CH:11]=[CH:10]2)Br.C1=CC2=C(C=C1)C(=CC=C2)Br

OrbPairId : 3977, Prediction : 0.000000

Neg data

OPReactantPairId: 2617, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.C[N:23]=[CH:22][CH:21]=[CH2:20].CN=CC=C

OrbPairId : 2711, Prediction : 0.000000

Neg data

OPReactantPairId: 3259, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.C[C:11]1=[CH:10]C2=C(C=CC=C2)C=C1.CC1=CC2=C(C=CC=C2)C=C1

OrbPairId : 3700, Prediction : 0.000000

Neg data

OPReactantPairId: 1510, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[CH+:20]C1=CC=CC=C1.CC(C)[CH+]C1=CC=CC=C1.[Br-:10].[Br-]

OrbPairId : 1505, Prediction : 0.000000

Neg data

OPReactantPairId: 2049, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C=C)(N(CC)CC)O.CCN(CC)C(C=C)([OH2+])O.[OH2:10].O

OrbPairId : 2083, Prediction : 0.000000

Neg data

OPReactantPairId: 2283, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)C(C)(C)[C:20](C)([O-:10])[Cl:21].CC(=O)C(C)(C)C(C)([O-])Cl

OrbPairId : 2342, Prediction : 0.000000

Neg data

OPReactantPairId: 3003, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C1CCC(CC1)NC(=NC2CCCCC2)O[C:20](=[O:21])CCC[NH2:10].C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCCN

OrbPairId : 3137, Prediction : 0.000000

Neg data

OPReactantPairId: 2283, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)C(C)(C)[C:20](C)([O-:10])[Cl:21].CC(=O)C(C)(C)C(C)([O-])Cl

OrbPairId : 3257, Prediction : 0.000000

Neg data

OPReactantPairId: 3662, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)[C:22](=[O:23])CC1=CC=CC=C1.C1=CC=C(C=C1)CC(=O)CC#N.[OH-:10].[OH-]

OrbPairId : 4285, Prediction : 0.000000

Neg data

OPReactantPairId: 3506, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[C:22]1[N+](=O)[O-])OC)C(C)C.CC(C)C1C=C[C+](C=C1[N+](=O)[O-])OC.[F-:10].[F-]

OrbPairId : 4112, Prediction : 0.000000

Neg data

OPReactantPairId: 2820, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](CC)[N+](=O)[O-].CCC[N+](=O)[O-].[OH-:10].[OH-]

OrbPairId : 2930, Prediction : 0.000000

Neg data

OPReactantPairId: 1467, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CC1C[O:10]1.CC1CO1.Br

OrbPairId : 1459, Prediction : 0.000000

Neg data

OPReactantPairId: 2095, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC([N:10](C)C)O.CC(N(C)C)O.[OH3+]

OrbPairId : 3901, Prediction : 0.000000

Neg data

OPReactantPairId: 3664, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C1=CC=CC=C1.C1=CC=C(C=C1)O.[OH-:10].[OH-]

OrbPairId : 4287, Prediction : 0.000000

Neg data

OPReactantPairId: 2822, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](CC)([N+](=O)[O-])Br.CCC([N+](=O)[O-])Br.[OH-:10].[OH-]

OrbPairId : 2932, Prediction : 0.000000

Neg data

OPReactantPairId: 2541, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(=O)CC[CH:10]=[C:11](N)[O-:12].CC(=O)CCC=C(N)[O-].[OH3+]

OrbPairId : 2629, Prediction : 0.000000

Neg data

OPReactantPairId: 2240, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[OH+:21])CC(=O)O.CCOC(=[OH+])CC(=O)O.[OH2:10].O

OrbPairId : 2293, Prediction : 0.000000

Neg data

OPReactantPairId: 2104, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21](C)(CC)[C+:22](C)CC.CCC(C)[C+](C)CC.[OH2:10].O

OrbPairId : 2141, Prediction : 0.000000
CCC(C)[C+:20](C)CC.CCC(C)[C+](C)CC.[OH2:10].O

OrbPairId : 2142, Prediction : 0.000000

Neg data

OPReactantPairId: 1957, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCC(=O)N[C:11]1=[CH:10]C=C(C=C1Br)Br.CCC(=O)NC1=CC=C(C=C1Br)Br.[Br:20][Br:21].BrBr

OrbPairId : 3632, Prediction : 0.000000

Neg data

OPReactantPairId: 1957, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC(=O)N[C:11]1=[CH:10]C=C(C=C1Br)Br.CCC(=O)NC1=CC=C(C=C1Br)Br.[Br:20][Br:21].BrBr

OrbPairId : 1985, Prediction : 0.000000

Neg data

OPReactantPairId: 3709, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CCOC(=O)C(C1CCC[C:11](=[CH:10]1)[O-:12])C(=O)C.CCOC(=O)C(C1CCCC(=C1)[O-])C(=O)C.O

OrbPairId : 4341, Prediction : 0.000000

Neg data

OPReactantPairId: 2242, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CC(=O)O)(O)OCC.CCOC(CC(=O)O)([OH2+])O.[OH2:10].O

OrbPairId : 2295, Prediction : 0.000000

Neg data

OPReactantPairId: 1736, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:22]=[CH:23][C+:24](C(=C1)Br)OCC)Br.CCO[C+]1C=CC(C=C1Br)Br.[Br-:10].[Br-]

OrbPairId : 1749, Prediction : 0.000000

Neg data

OPReactantPairId: 2102, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(CC)CC.CCC(C)(CC)[OH2+].[OH2:10].O

OrbPairId : 2139, Prediction : 0.000000

Neg data

OPReactantPairId: 3614, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)([C:22](=[O:23])C)C(C)(CC)O.CCC(C)(C(C)C(=O)C)O.[OH-:10].[OH-]

OrbPairId : 4233, Prediction : 0.000000

Neg data

OPReactantPairId: 2182, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1=[C:22](C(=CC=C1)C)[Cl:23].CC1=CC=CC=C1Cl.[NH2-:10].[NH2-]

OrbPairId : 2227, Prediction : 0.000000

Neg data

OPReactantPairId: 1584, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](CC#N)([NH2+:21]C)[OH:10].CCNC(CC#N)([NH2+]C)O

OrbPairId : 1583, Prediction : 0.000000

Neg data

OPReactantPairId: 3570, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:10]=[CH:11][O-:12].C=C[O-].C1=CC=C(C=C1)[CH:20]=[O:21].C1=CC=C(C=C1)C=O

OrbPairId : 4184, Prediction : 0.000000

Neg data

OPReactantPairId: 2486, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C=C)([O-:10])[Cl:21].CCNC(C=C)([O-])Cl

OrbPairId : 3336, Prediction : 0.000000

Neg data

OPReactantPairId: 2486, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C=C)([O-:10])[Cl:21].CCNC(C=C)([O-])Cl

OrbPairId : 2566, Prediction : 0.000000

Neg data

OPReactantPairId: 1479, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CC(C)(C)[CH:11]=[CH2:10].CC(C)(C)C=C.Br

OrbPairId : 1475, Prediction : 0.000000

Neg data

OPReactantPairId: 3257, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[CH:10]=[C:11](C=C1)OC[C+:20]=O.C1=CC=C(C=C1)OC[C+]=O

OrbPairId : 3698, Prediction : 0.000000

Neg data

OPReactantPairId: 2484, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)C(C=C)([O-])Cl.CC[NH2+]C(C=C)([O-])Cl.[OH2:10].O

OrbPairId : 2564, Prediction : 0.000000

Neg data

OPReactantPairId: 1633, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1C[C:20](OC1)([OH2+:21])[OH:10].C1CC(OC1)([OH2+])O

OrbPairId : 1634, Prediction : 0.000000

Neg data

OPReactantPairId: 3138, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH2:21][C:22](=[O:23])Cl.CC(=O)Cl

OrbPairId : 3504, Prediction : 0.000000

Neg data

OPReactantPairId: 2553, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C=C(CC1=CC=CC=C1)O)([O-:10])[Cl:21].CCOC(C=C(CC1=CC=CC=C1)O)([O-])Cl

OrbPairId : 2642, Prediction : 0.000000

Neg data

OPReactantPairId: 2553, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C=C(CC1=CC=CC=C1)O)([O-:10])[Cl:21].CCOC(C=C(CC1=CC=CC=C1)O)([O-])Cl

OrbPairId : 3280, Prediction : 0.000000

Neg data

OPReactantPairId: 2536, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].CC=C[CH2:20][Br:21].CC=CCBr

OrbPairId : 2623, Prediction : 0.000000

Neg data

OPReactantPairId: 3660, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(C)(C)C#N.CC(C)(C#N)O.[OH-:10].[OH-]

OrbPairId : 4282, Prediction : 0.000000

Neg data

OPReactantPairId: 2569, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])C.CC(=O)C.[CH2-:10]C1=NC=CC=C1.[CH2-]C1=NC=CC=C1

OrbPairId : 2660, Prediction : 0.000000

Neg data

OPReactantPairId: 3142, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CC(=O)OC(=O)C.CC(=O)OC(=O)CO

OrbPairId : 3510, Prediction : 0.000000

Neg data

OPReactantPairId: 3504, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])C)C(C)(C)O.CC[O-:10].CC[O-].CC(=O)CC(C)(C)O

OrbPairId : 4110, Prediction : 0.000000

Neg data

OPReactantPairId: 1465, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH+:20][CH:10]=[CH:11]C.CC[CH+]C=CC

OrbPairId : 1457, Prediction : 0.000000

Neg data

OPReactantPairId: 3320, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH2+:21]O.CC(C)(NO)[OH:10].CC(C)(NO)O.[NH3+]O

OrbPairId : 3904, Prediction : 0.000000

Neg data

OPReactantPairId: 1523, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20][C:11]1(CCC[CH2:10]1)C.C[CH+]C1(CCCC1)C

OrbPairId : 2274, Prediction : 0.000000
C[CH+:20][C:11]1(CCCC1)[CH3:10].C[CH+]C1(CCCC1)C

OrbPairId : 2276, Prediction : 0.000000

Neg data

OPReactantPairId: 3243, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)(C)[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CC(C)(C)C1=CC=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3674, Prediction : 0.000000

Neg data

OPReactantPairId: 2128, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C=[C:20]([O-:10])[Cl:21].C=C([O-])Cl

OrbPairId : 2167, Prediction : 0.000000

Neg data

OPReactantPairId: 1469, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].C=CCC[OH:10].C=CCCO.Br

OrbPairId : 1462, Prediction : 0.000000

Neg data

OPReactantPairId: 3241, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CC(C)C1=CC=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3671, Prediction : 0.000000

Neg data

OPReactantPairId: 3646, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.C[CH2:4][C:11](=[CH:10]CC1(CCCCC1=O)C)[O-:12].CCC(=CCC1(CCCCC1=O)C)[O-].CCO

OrbPairId : 4268, Prediction : 0.000000

Neg data

OPReactantPairId: 2579, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C:22](=[O:23])C.CCC(=O)C.CC[O-:10].CC[O-]

OrbPairId : 2671, Prediction : 0.000000

Neg data

OPReactantPairId: 2579, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C:22](=[O:23])C.CCC(=O)C.CC[O-:10].CC[O-]

OrbPairId : 3198, Prediction : 0.000000

Neg data

OPReactantPairId: 1588, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]=[OH+:21].CCC=[OH+].[CH2:10]=[CH:11][OH:12].C=CO

OrbPairId : 1588, Prediction : 0.000000

Neg data

OPReactantPairId: 3644, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCCC[C:22]1=[O:23])C.CC[O-:10].CC[O-].CC1CCCCC1=O

OrbPairId : 4266, Prediction : 0.000000

Neg data

OPReactantPairId: 3136, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CCCC1CO1.C1C(O1)CCCO

OrbPairId : 3502, Prediction : 0.000000

Neg data

OPReactantPairId: 2184, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2+:21][C:20](C)(C)[OH:10].CC[NH2+]C(C)(C)O

OrbPairId : 2229, Prediction : 0.000000

Neg data

OPReactantPairId: 1586, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2+:21][C:20](CC#N)(NC)[OH:10].CC[NH2+]C(CC#N)(NC)O

OrbPairId : 1586, Prediction : 0.000000

Neg data

OPReactantPairId: 3147, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][N:21]1C(=O)C2=C(C1=O)C=CC=C2.C1=CC2=C(C=C1)C(=O)NC2=O

OrbPairId : 3517, Prediction : 0.000000

Neg data

OPReactantPairId: 1477, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CC1(C[O:10]1)C.CC1(CO1)C.Br

OrbPairId : 1473, Prediction : 0.000000

Neg data

OPReactantPairId: 2220, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](C)(O)[OH:10].CC(=O)OC(C)(O)O

OrbPairId : 3761, Prediction : 0.000000

Neg data

OPReactantPairId: 3354, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]([NH2+:21]CC(=O)O)(O)[OH:10].CC([NH2+]CC(=O)O)(O)O

OrbPairId : 3941, Prediction : 0.000000

Neg data

OPReactantPairId: 1943, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC1(C([O:10]1)C)C.CCC1(C(O1)C)C.[OH3+]

OrbPairId : 1970, Prediction : 0.000000

Neg data

OPReactantPairId: 3251, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:13]1=[C:12]2C=CC=C[C:11]2=[CH:10]C=C1.COC1=C2C=CC=CC2=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3687, Prediction : 0.000000

Neg data

OPReactantPairId: 1475, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].[CH2:10]=[CH:11]CBr.C=CCBr.Br

OrbPairId : 1471, Prediction : 0.000000

Neg data

OPReactantPairId: 2053, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH+:20]C=CC.CC[CH+]C=CC.[OH2:10].O

OrbPairId : 2087, Prediction : 0.000000

Neg data

OPReactantPairId: 3528, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])CCC[CH:10]=[C:11](C)[O-:12].CC(=O)CCCC=C(C)[O-]

OrbPairId : 4135, Prediction : 0.000000

Neg data

OPReactantPairId: 2870, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(CBr)O.C(C(=[OH+])O)Br.[OH2:10].O

OrbPairId : 2992, Prediction : 0.000000

Neg data

OPReactantPairId: 3253, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)CBr.C1=CC=C(C=C1)CBr.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3689, Prediction : 0.000000
C1=C[CH:10]=[C:11](C=C1)CBr.C1=CC=C(C=C1)CBr.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3690, Prediction : 0.000000

Neg data

OPReactantPairId: 1941, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:11]1=[CH:10]C=C2C=CC=CC2=C1Br.COC1=CC=C2C=CC=CC2=C1Br.[Br:20][Br:21].BrBr

OrbPairId : 1968, Prediction : 0.000000

Neg data

OPReactantPairId: 2258, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](=CC)CC.CC[NH+]=CC.[OH2:10].O

OrbPairId : 2315, Prediction : 0.000000

Neg data

OPReactantPairId: 3019, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](C)(C)C1=CC=CC=C1.C[NH+](C)C1=CC=CC=C1.[I-:10].[I-]

OrbPairId : 3153, Prediction : 0.000000

Neg data

OPReactantPairId: 2646, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C1[CH2:20][O:21]1.C1CO1.[CH-:10](C#N)C#N.[CH-](C#N)C#N

OrbPairId : 2743, Prediction : 0.000000

Neg data

OPReactantPairId: 2754, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])C1=C(C=CC=C1)F.CC[O-:10].CC[O-].CC(=O)C1=C(C=CC=C1)F

OrbPairId : 2861, Prediction : 0.000000

Neg data

OPReactantPairId: 3324, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[O:21].CC=O.[NH2:10]O.NO

OrbPairId : 3908, Prediction : 0.000000

Neg data

OPReactantPairId: 2389, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C(C[CH2:20][Br:21])C[O-:10].C(CCBr)C[O-]

OrbPairId : 3243, Prediction : 0.000000

Neg data

OPReactantPairId: 2389, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C(C[CH2:20][Br:21])C[O-:10].C(CCBr)C[O-]

OrbPairId : 2461, Prediction : 0.000000

Neg data

OPReactantPairId: 2389, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C(C[CH2:20][Br:21])C[O-:10].C(CCBr)C[O-]

OrbPairId : 3506, Prediction : 0.000000

Neg data

OPReactantPairId: 3326, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C(C)[O-])O.CC([NH2+]O)[O-].[NH2:10]O.NO

OrbPairId : 3910, Prediction : 0.000000

Neg data

OPReactantPairId: 2943, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)OC)CC1=CC=CC=C1.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.COC(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 3076, Prediction : 0.000000

Neg data

OPReactantPairId: 3425, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C(=O)CC[C:22]1=[O:23])C.CC[O-:10].CC[O-].CC1C(=O)CCC1=O

OrbPairId : 4027, Prediction : 0.000000

Neg data

OPReactantPairId: 2385, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])OC(=O)CC[O-:10].CC(=O)OC(=O)CC[O-]

OrbPairId : 3546, Prediction : 0.000000

Neg data

OPReactantPairId: 2462, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC1CCCCC1(N2CCCC2)[O-:10].CC1CCCCC1(N2CCCC2)[O-].[OH3+]

OrbPairId : 2539, Prediction : 0.000000

Neg data

OPReactantPairId: 2385, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])OC(=O)CC[O-:10].CC(=O)OC(=O)CC[O-]

OrbPairId : 2457, Prediction : 0.000000

Neg data

OPReactantPairId: 2941, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC=CCC(C)[O-:10].CC=CCC(C)[O-].O

OrbPairId : 3073, Prediction : 0.000000

Neg data

OPReactantPairId: 2464, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1CCCC([C:22]1=[N+:23]2CCCC2)C.CC1CCCCC1=[N+]2CCCC2.[OH2:10].O

OrbPairId : 2542, Prediction : 0.000000

Neg data

OPReactantPairId: 2842, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(CC[O-:10])[C:20](=[O:21])C.CC(CC[O-])C(=O)C

OrbPairId : 3271, Prediction : 0.000000

Neg data

OPReactantPairId: 2842, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(CC[O-:10])[C:20](=[O:21])C.CC(CC[O-])C(=O)C

OrbPairId : 2953, Prediction : 0.000000

Neg data

OPReactantPairId: 2654, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])C1=CC(=CC=C1)Br.CC[O-:10].CC[O-].CC(=O)C1=CC(=CC=C1)Br

OrbPairId : 2751, Prediction : 0.000000

Neg data

OPReactantPairId: 2387, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(=O)OCCC(=O)[O-:10].CC(=O)OCCC(=O)[O-].[OH3+]

OrbPairId : 2459, Prediction : 0.000000

Neg data

OPReactantPairId: 3350, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(CNC(=O)C)O.CC(=O)NCC(=[OH+])O.[OH2:10].O

OrbPairId : 3937, Prediction : 0.000000

Neg data

OPReactantPairId: 2840, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1=CC=C(C=C1)CC(=O)CC(=O)[O-:10].C1=CC=C(C=C1)CC(=O)CC(=O)[O-].[OH3+]

OrbPairId : 2951, Prediction : 0.000000

Neg data

OPReactantPairId: 2363, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20](C1=CC=CC=C1)[Br:21].CC(C1=CC=CC=C1)Br.[C-:10]#N.[C-]#N

OrbPairId : 2431, Prediction : 0.000000

Neg data

OPReactantPairId: 2399, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.CCOC(=O)CC[C:20](=[O:21])C1=CC=CC=C1.CCOC(=O)CCC(=O)C1=CC=CC=C1

OrbPairId : 2471, Prediction : 0.000000

Neg data

OPReactantPairId: 2630, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)C(C)([O-])OC(=O)C.CC[NH2+]C(C)([O-])OC(=O)C.[OH2:10].O

OrbPairId : 2724, Prediction : 0.000000

Neg data

OPReactantPairId: 2652, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)N(C)C)N=NC2=CC=CC=C2.CN(C)[C+]1C=CC(C=C1)N=NC2=CC=CC=C2.[Cl-:10].[Cl-]

OrbPairId : 2749, Prediction : 0.000000

Neg data

OPReactantPairId: 3352, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(NCC(=O)O)O.CC(NCC(=O)O)([OH2+])O.[OH2:10].O

OrbPairId : 3939, Prediction : 0.000000

Neg data

OPReactantPairId: 3524, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[O:21].CC=O.C1C[CH:10]=[C:11](C1)[O-:12].C1CC=C(C1)[O-]

OrbPairId : 4131, Prediction : 0.000000

Neg data

OPReactantPairId: 2361, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:22](=[O:23])[CH:21]=[CH2:20].CCNC(=O)C=C.C[C:11](=[CH2:10])[O-:12].CC(=C)[O-]

OrbPairId : 2429, Prediction : 0.000000

Neg data

OPReactantPairId: 2222, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20](C1(CCCC1)C)[OH2+:21].CC(C1(CCCC1)C)[OH2+]

OrbPairId : 2272, Prediction : 0.000000

Neg data

OPReactantPairId: 2361, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:22](=[O:23])[CH:21]=[CH2:20].CCNC(=O)C=C.C[C:11](=[CH2:10])[O-:12].CC(=C)[O-]

OrbPairId : 3279, Prediction : 0.000000

Neg data

OPReactantPairId: 2679, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C.[C-:10]#N.[C-]#N

OrbPairId : 3281, Prediction : 0.000000

Neg data

OPReactantPairId: 1945, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(CC)C(C)O.CCC(C)(C(C)O)[OH2+].[OH2:10].O

OrbPairId : 1972, Prediction : 0.000000

Neg data

OPReactantPairId: 2679, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C.[C-:10]#N.[C-]#N

OrbPairId : 2776, Prediction : 0.000000

Neg data

OPReactantPairId: 2650, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC#C[C:20](C)([O-:10])[O:21]C.CC#CC(C)([O-])OC

OrbPairId : 2747, Prediction : 0.000000

Neg data

OPReactantPairId: 2393, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].CC1C[C:20]1=[O:21].CC1CC1=O

OrbPairId : 3387, Prediction : 0.000000

Neg data

OPReactantPairId: 2393, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].CC1C[C:20]1=[O:21].CC1CC1=O

OrbPairId : 2465, Prediction : 0.000000

Neg data

OPReactantPairId: 3435, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])CCC[CH:10]=[C:11]([O-:12])OCC.CCOC(=O)CCCC=C([O-])OCC

OrbPairId : 4038, Prediction : 0.000000

Neg data

OPReactantPairId: 2561, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)C(C)([O-])OCC.CC[NH2+]C(C)([O-])OCC.[OH2:10].O

OrbPairId : 2652, Prediction : 0.000000

Neg data

OPReactantPairId: 2675, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])Cl.CC(=O)Cl.C[NH2:10].CN

OrbPairId : 3355, Prediction : 0.000000

Neg data

OPReactantPairId: 2675, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])Cl.CC(=O)Cl.C[NH2:10].CN

OrbPairId : 2772, Prediction : 0.000000

Neg data

OPReactantPairId: 2391, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])C(C)Br.CC[O-:10].CC[O-].CC(C(=O)C)Br

OrbPairId : 2463, Prediction : 0.000000

Neg data

OPReactantPairId: 2391, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])C(C)Br.CC[O-:10].CC[O-].CC(C(=O)C)Br

OrbPairId : 3384, Prediction : 0.000000

Neg data

OPReactantPairId: 2856, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([OH2+:21])[OH:10].CC([OH2+])O

OrbPairId : 2972, Prediction : 0.000000

Neg data

OPReactantPairId: 1667, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1CC[O:10][CH:20](C1)[OH2+:21].C1CCOC(C1)[OH2+]

OrbPairId : 1674, Prediction : 0.000000

Neg data

OPReactantPairId: 1598, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[OH:10].CC(C)O.C[C+:20](C)Br.C[C+](C)Br

OrbPairId : 1598, Prediction : 0.000000

Neg data

OPReactantPairId: 2563, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.CC(=O)CC[CH:20]=[O:21].CC(=O)CCC=O

OrbPairId : 2654, Prediction : 0.000000

Neg data

OPReactantPairId: 2951, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCC(C)[N:10](C)C.CCC(C)N(C)C.[CH3:20][I:21].CI

OrbPairId : 3082, Prediction : 0.000000

Neg data

OPReactantPairId: 2677, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)C(C)([O-])Cl.CC([NH2+]C)([O-])Cl.[OH2:10].O

OrbPairId : 2774, Prediction : 0.000000

Neg data

OPReactantPairId: 2671, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[N:23]=[CH:22][CH:21]=[CH2:20].CN=CC=C.[C-:10]#N.[C-]#N

OrbPairId : 3354, Prediction : 0.000000

Neg data

OPReactantPairId: 2671, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[N:23]=[CH:22][CH:21]=[CH2:20].CN=CC=C.[C-:10]#N.[C-]#N

OrbPairId : 2768, Prediction : 0.000000

Neg data

OPReactantPairId: 2850, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC=[O:10].CC=O.[OH3+]

OrbPairId : 2964, Prediction : 0.000000

Neg data

OPReactantPairId: 2397, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][O:10][C:20](CCC(=O)OCC)(C1=CC=CC=C1)[Cl:21].[Li]OC(CCC(=O)OCC)(C1=CC=CC=C1)Cl

OrbPairId : 2469, Prediction : 0.000000

Neg data

OPReactantPairId: 2693, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(CC1=NC=CC=C1)(CC2=NC=CC=C2)[O-:10].CC(CC1=NC=CC=C1)(CC2=NC=CC=C2)[O-].[OH3+]

OrbPairId : 2791, Prediction : 0.000000

Neg data

OPReactantPairId: 2669, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCOC(=O)C[C:20](C)([NH:10]C)[OH2+:21].CCOC(=O)CC(C)(NC)[OH2+]

OrbPairId : 2765, Prediction : 0.000000

Neg data

OPReactantPairId: 3061, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=CCC([CH:22]1[N+:23](C)(C)C)C)C.CC1CC=CC(C1[N+](C)(C)C)C.[OH-:10].[OH-]

OrbPairId : 3210, Prediction : 0.000000
[H:20][C:21]1(CC=CC([CH:22]1[N+:23](C)(C)C)C)C.CC1CC=CC(C1[N+](C)(C)C)C.[OH-:10].[OH-]

OrbPairId : 3211, Prediction : 0.000000

Neg data

OPReactantPairId: 2691, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[C-:10]#N.[C-]#N.C(C[CH2:20][Br:21])CC#N.C(CCBr)CC#N

OrbPairId : 2789, Prediction : 0.000000

Neg data

OPReactantPairId: 3427, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CC[CH+:20]OC1=CC=CC=C1.CC[CH+]OC1=CC=CC=C1.C=CCO[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.C=CCOC1=CC=CC=C1

OrbPairId : 4030, Prediction : 0.000000
CC[CH+:20]OC1=CC=CC=C1.CC[CH+]OC1=CC=CC=C1.C=CCO[C:11]1=[CH:10]C=CC=C1.C=CCOC1=CC=CC=C1

OrbPairId : 4032, Prediction : 0.000000

Neg data

OPReactantPairId: 2852, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=CCBr.C(C=[OH+])Br.[OH2:10].O

OrbPairId : 2968, Prediction : 0.000000

Neg data

OPReactantPairId: 2371, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].CCO[C:20](=[O:21])C.CCOC(=O)C

OrbPairId : 3196, Prediction : 0.000000
[H:20][CH2:21][C:22](=[O:23])OCC.CC[O-:10].CC[O-].CCOC(=O)C

OrbPairId : 3199, Prediction : 0.000000

Neg data

OPReactantPairId: 2371, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].CCO[C:20](=[O:21])C.CCOC(=O)C

OrbPairId : 2440, Prediction : 0.000000
[H:20][CH2:21][C:22](=[O:23])OCC.CC[O-:10].CC[O-].CCOC(=O)C

OrbPairId : 2442, Prediction : 0.000000

Neg data

OPReactantPairId: 2460, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1C[C:11](=[CH:10][CH:20]1[OH:21])[O-:12].C1CC(=CC1O)[O-]

OrbPairId : 3360, Prediction : 0.000000

Neg data

OPReactantPairId: 2460, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C1C[C:11](=[CH:10][CH:20]1[OH:21])[O-:12].C1CC(=CC1O)[O-]

OrbPairId : 2536, Prediction : 0.000000

Neg data

OPReactantPairId: 2663, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCOC(=O)C[C:20](=[O:21])C.CCOC(=O)CC(=O)C.C[NH2:10].CN

OrbPairId : 2760, Prediction : 0.000000

Neg data

OPReactantPairId: 2577, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:21][C:20]1(CCC(=O)C1)[O-:10].CCOC1(CCC(=O)C1)[O-]

OrbPairId : 3461, Prediction : 0.000000

Neg data

OPReactantPairId: 2577, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:21][C:20]1(CCC(=O)C1)[O-:10].CCOC1(CCC(=O)C1)[O-]

OrbPairId : 2669, Prediction : 0.000000

Neg data

OPReactantPairId: 2661, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCOC(=O)C[CH2:20][Cl:21].CCOC(=O)CCCl.[C-:10]#N.[C-]#N

OrbPairId : 2758, Prediction : 0.000000

Neg data

OPReactantPairId: 2858, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCCC[CH:22]1[Br:23])Br.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.C1CCC(C(C1)Br)Br

OrbPairId : 2975, Prediction : 0.000000

Neg data

OPReactantPairId: 2007, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[NH:10]C(C)(O)O.CCNC(C)(O)O.[OH3+]

OrbPairId : 3740, Prediction : 0.000000

Neg data

OPReactantPairId: 1836, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](CCC=O)([OH:10])[O:21]C(=O)C.CCNC(CCC=O)(O)OC(=O)C

OrbPairId : 1857, Prediction : 0.000000

Neg data

OPReactantPairId: 2575, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[Li:11][O:10]C(CCC(=O)C)(C1=CC=CC=C1)C2=CC=CC=C2.[Li]OC(CCC(=O)C)(C1=CC=CC=C1)C2=CC=CC=C2.[OH3+]

OrbPairId : 2667, Prediction : 0.000000

Neg data

OPReactantPairId: 1777, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[NH+:23]=[CH:22][CH:21]=[CH2:20].C[NH+]=CC=C

OrbPairId : 1795, Prediction : 0.000000

Neg data

OPReactantPairId: 1595, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20](C(C)C=O)[OH2+:21].CCC(C(C)C=O)[OH2+]

OrbPairId : 1595, Prediction : 0.000000

Neg data

OPReactantPairId: 2667, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCOC(=O)CC(C)(NC)[OH:10].CCOC(=O)CC(C)(NC)O.[OH3+]

OrbPairId : 2764, Prediction : 0.000000

Neg data

OPReactantPairId: 2188, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])C.CC[O-:10].CC[O-].CC(=O)C

OrbPairId : 2233, Prediction : 0.000000

Neg data

OPReactantPairId: 2188, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])C.CC[O-:10].CC[O-].CC(=O)C

OrbPairId : 3286, Prediction : 0.000000

Neg data

OPReactantPairId: 2238, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(CC(=O)OCC)O.CCOC(=O)CC(=[OH+])O.[OH2:10].O

OrbPairId : 2291, Prediction : 0.000000

Neg data

OPReactantPairId: 1779, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C=C([C+:22]1N(C)C)Br)Br)Br.CN(C)[C+]1C(C=C(C=C1Br)Br)Br.[Br-:10].[Br-]

OrbPairId : 1797, Prediction : 0.000000

Neg data

OPReactantPairId: 3073, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20](C)[Br:21].CCC(C)Br

OrbPairId : 3267, Prediction : 0.000000

Neg data

OPReactantPairId: 2238, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(CC(=O)OCC)O.CCOC(=O)CC(=[OH+])O.[OH2:10].O

OrbPairId : 3830, Prediction : 0.000000

Neg data

OPReactantPairId: 2681, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:10]=[C:11](C)[O-:12].CC=C(C)[O-].C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr

OrbPairId : 3440, Prediction : 0.000000

Neg data

OPReactantPairId: 2681, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:10]=[C:11](C)[O-:12].CC=C(C)[O-].C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr

OrbPairId : 2778, Prediction : 0.000000

Neg data

OPReactantPairId: 2307, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:20]([O-:10])[Br:21].C([O-])Br

OrbPairId : 3566, Prediction : 0.000000

Neg data

OPReactantPairId: 2769, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])C1=CC=C(C=C1)I.CC(=O)C1=CC=C(C=C1)I.[CH2:10]=[C:11](C1=CC=C(C=C1)I)[O-:12].C=C(C1=CC=C(C=C1)I)[O-]

OrbPairId : 2877, Prediction : 0.000000

Neg data

OPReactantPairId: 3582, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])OC.COC(=O)CC(=O)CC1=CC=CC=C1.[OH-:10].[OH-]

OrbPairId : 4197, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)OC.COC(=O)CC(=O)CC1=CC=CC=C1.[OH-:10].[OH-]

OrbPairId : 4198, Prediction : 0.000000

Neg data

OPReactantPairId: 2307, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:20]([O-:10])[Br:21].C([O-])Br

OrbPairId : 2367, Prediction : 0.000000

Neg data

OPReactantPairId: 2307, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:20]([O-:10])[Br:21].C([O-])Br

OrbPairId : 3300, Prediction : 0.000000

Neg data

OPReactantPairId: 2008, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1C[O:10]1.C1CO1.[OH3+]

OrbPairId : 2040, Prediction : 0.000000

Neg data

OPReactantPairId: 3512, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC12CCC(=O)C(C1(CCC2=O)[O-:10])CCC3=CC(=CC=C3)OC.CC12CCC(=O)C(C1(CCC2=O)[O-])CCC3=CC(=CC=C3)OC

OrbPairId : 4118, Prediction : 0.000000

Neg data

OPReactantPairId: 3429, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])C.CCOC(=O)C.[CH2-:10][N+](=O)[O-].[CH2-][N+](=O)[O-]

OrbPairId : 4031, Prediction : 0.000000

Neg data

OPReactantPairId: 3195, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C[O:21][CH:20](CC[O-])[O-:10].COC(CC[O-])[O-]

OrbPairId : 3579, Prediction : 0.000000

Neg data

OPReactantPairId: 2767, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]=[CH:22][Br:23].CC[NH-:10].CC[NH-].C=CBr

OrbPairId : 2875, Prediction : 0.000000

Neg data

OPReactantPairId: 3328, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH2+:21]O.CC(NO)[O-:10].CC(NO)[O-].[NH3+]O

OrbPairId : 3912, Prediction : 0.000000

Neg data

OPReactantPairId: 1717, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CCOC(=O)CC[C:20](=[O:21])C.CCOC(=O)CCC(=O)C

OrbPairId : 1728, Prediction : 0.000000

Neg data

OPReactantPairId: 3510, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](CCC1=CC(=CC=C1)OC)[C:22](=[O:23])CCC2(C(=O)CCC2=O)C.CC[O-:10].CC[O-].CC1(C(=O)CCC1=O)CCC(=O)CCCC2=CC(=CC=C2)OC

OrbPairId : 4116, Prediction : 0.000000

Neg data

OPReactantPairId: 2765, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC1=C[CH:10]=[C:11](C=C1)OC.CC1=CC=C(C=C1)OC.C1=CC=C(C=C1)[N+:21]#[N:20].C1=CC=C(C=C1)[N+]#N

OrbPairId : 2873, Prediction : 0.000000

Neg data

OPReactantPairId: 3283, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.C#C[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.C#CC1=CC=CC=C1

OrbPairId : 3781, Prediction : 0.000000
C[CH+:20]C.C[CH+]C.C#C[C:11]1=[CH:10]C=CC=C1.C#CC1=CC=CC=C1

OrbPairId : 3784, Prediction : 0.000000

Neg data

OPReactantPairId: 1715, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10][C:20](C)(C)[OH2+:21].CCNC(C)(C)[OH2+]

OrbPairId : 2419, Prediction : 0.000000

Neg data

OPReactantPairId: 1715, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10][C:20](C)(C)[OH2+:21].CCNC(C)(C)[OH2+]

OrbPairId : 1726, Prediction : 0.000000

Neg data

OPReactantPairId: 3199, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
CC[CH:20]([O-:10])[O:21]C(C)[O-].CCC([O-])OC(C)[O-]

OrbPairId : 3583, Prediction : 0.000000
CCC([O-])[O:21][CH:20](C)[O-:10].CCC([O-])OC(C)[O-]

OrbPairId : 3584, Prediction : 0.000000

Neg data

OPReactantPairId: 1713, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[C:20](=[O:21])C.CC(=O)C

OrbPairId : 1724, Prediction : 0.000000

Neg data

OPReactantPairId: 1713, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[C:20](=[O:21])C.CC(=O)C

OrbPairId : 2415, Prediction : 0.000000

Neg data

OPReactantPairId: 1847, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
COC(=O)C1CC[C:20](=[OH+:21])CC1.COC(=O)C1CCC(=[OH+])CC1.C(C[OH:10])O.C(CO)O

OrbPairId : 1868, Prediction : 0.000000

Neg data

OPReactantPairId: 2571, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(C)(CC1=NC=CC=C1)[O-:10].CC(C)(CC1=NC=CC=C1)[O-].[OH3+]

OrbPairId : 2663, Prediction : 0.000000

Neg data

OPReactantPairId: 3302, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[C+:20]=O.CC[C+]=O.[CH:11]1=[CH:10]C=CC=C1.C1=CC=CC=C1

OrbPairId : 3834, Prediction : 0.000000

Neg data

OPReactantPairId: 1845, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](CCC(=O)OCC)([OH:10])[Cl:21].CCNC(CCC(=O)OCC)(O)Cl

OrbPairId : 1866, Prediction : 0.000000

Neg data

OPReactantPairId: 2313, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])CC1=CC=CC=C1.CC(=O)CC1=CC=CC=C1.C[C:11](=[CH:10]C1=CC=CC=C1)[O-:12].CC(=CC1=CC=CC=C1)[O-]

OrbPairId : 3213, Prediction : 0.000000

Neg data

OPReactantPairId: 2313, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])CC1=CC=CC=C1.CC(=O)CC1=CC=CC=C1.C[C:11](=[CH:10]C1=CC=CC=C1)[O-:12].CC(=CC1=CC=CC=C1)[O-]

OrbPairId : 2372, Prediction : 0.000000

Neg data

OPReactantPairId: 2581, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC(C)(C(C)C(=O)C)[O-:10].CCC(C)(C(C)C(=O)C)[O-].[OH3+]

OrbPairId : 2673, Prediction : 0.000000

Neg data

OPReactantPairId: 1705, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[CH:11]1=[CH:10]C2=CC=C(C=C2C=C1)C(F)(F)F.C1=CC2=CC=C(C=C2C=C1)C(F)(F)F.[Br:20][Br:21].BrBr

OrbPairId : 1715, Prediction : 0.000000
C1=CC2=CC=C(C=C2[CH:10]=[CH:11]1)C(F)(F)F.C1=CC2=CC=C(C=C2C=C1)C(F)(F)F.[Br:20][Br:21].BrBr

OrbPairId : 1716, Prediction : 0.000000

Neg data

OPReactantPairId: 3187, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])CCC[O-:10].CCOC(=O)CCC[O-]

OrbPairId : 3569, Prediction : 0.000000

Neg data

OPReactantPairId: 2925, ReactionConditionsId: 7

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)C)[C:22](=[O:23])OCC.CCOC(=O)CC(=O)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3055, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])C)C(=O)OCC.CCOC(=O)CC(=O)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3056, Prediction : 0.000000

Neg data

OPReactantPairId: 3300, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C([C:11](=[CH:10]1)CC[C+:20]=O)Br.C1=CC=C(C(=C1)CC[C+]=O)Br

OrbPairId : 3832, Prediction : 0.000000

Neg data

OPReactantPairId: 2927, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C1=CC=CC=C1)[C:22](=[O:23])C(C)C.CC(C)C(=O)CC1=CC=CC=C1.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3058, Prediction : 0.000000

Neg data

OPReactantPairId: 1707, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=C(C=C2)C(F)(F)F)Br.C1=CC2=C(C=C(C=C2)C(F)(F)F)C([CH+]1)Br.[Br-:10].[Br-]

OrbPairId : 1718, Prediction : 0.000000

Neg data

OPReactantPairId: 2775, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH:10]CCC[CH2:20][Br:21])[O-:12].CC(=CCCCCBr)[O-]

OrbPairId : 3310, Prediction : 0.000000

Neg data

OPReactantPairId: 2775, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH:10]CCC[CH2:20][Br:21])[O-:12].CC(=CCCCCBr)[O-]

OrbPairId : 2883, Prediction : 0.000000

Neg data

OPReactantPairId: 2648, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)C#N.CCC#N.CC[O-:10].CC[O-]

OrbPairId : 2745, Prediction : 0.000000

Neg data

OPReactantPairId: 3789, ReactionConditionsId: 5

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([O-:10])[O:21]C(=O)C.CC([O-])OC(=O)C

OrbPairId : 4429, Prediction : 0.000000

Neg data

OPReactantPairId: 3403, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C2[C+:22]1C=CC=C2)C(C)C.CC(C)C1C=CC=C2[C+]1C=CC=C2.[F-:10].[F-]

OrbPairId : 3996, Prediction : 0.000000

Neg data

OPReactantPairId: 1701, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)C[CH:20](C1=CC=CC=C1)[OH2+:21].CC(=O)CC(C1=CC=CC=C1)[OH2+]

OrbPairId : 1711, Prediction : 0.000000

Neg data

OPReactantPairId: 2305, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)[N+:21]#[N:20].C1=CC=C(C=C1)[N+]#N.[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)O.C1=CC=C(C=C1)O

OrbPairId : 2365, Prediction : 0.000000

Neg data

OPReactantPairId: 3514, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC12CC[C:11](=[C:10]([C:20]1(CCC2=O)[OH:21])CCC3=CC(=CC=C3)OC)[O-:12].CC12CCC(=C(C1(CCC2=O)O)CCC3=CC(=CC=C3)OC)[O-]

OrbPairId : 4120, Prediction : 0.000000

Neg data

OPReactantPairId: 3598, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C(=O)CC[C:22]1=[O:23])C.CC1C(=O)CCC1=O.[OH-:10].[OH-]

OrbPairId : 4217, Prediction : 0.000000

Neg data

OPReactantPairId: 3189, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CCCCCBr.C(CCO)CCBr

OrbPairId : 3572, Prediction : 0.000000

Neg data

OPReactantPairId: 2593, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[Li:11][O:10]C(C)(C1=CC=CC=C1)C2=CC=CC=C2.[Li]OC(C)(C1=CC=CC=C1)C2=CC=CC=C2.[OH3+]

OrbPairId : 2687, Prediction : 0.000000

Neg data

OPReactantPairId: 3594, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])C.CCOC(=O)C.[OH-:10].[OH-]

OrbPairId : 4211, Prediction : 0.000000

Neg data

OPReactantPairId: 1988, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC1CC[C:11](=[CH:10]1)C.CCC1CCC(=C1)C.[OH3+]

OrbPairId : 2017, Prediction : 0.000000

Neg data

OPReactantPairId: 1855, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)CBr.C1=CC=C(C=C1)CBr

OrbPairId : 1876, Prediction : 0.000000
C[CH+:20]C.C[CH+]C.C1=C[CH:10]=[C:11](C=C1)CBr.C1=CC=C(C=C1)CBr

OrbPairId : 1879, Prediction : 0.000000

Neg data

OPReactantPairId: 1855, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)CBr.C1=CC=C(C=C1)CBr

OrbPairId : 3826, Prediction : 0.000000
C[CH+:20]C.C[CH+]C.C1=C[CH:10]=[C:11](C=C1)CBr.C1=CC=C(C=C1)CBr

OrbPairId : 3828, Prediction : 0.000000

Neg data

OPReactantPairId: 2006, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(NCC)O.CCNC(C)([OH2+])O.[OH2:10].O

OrbPairId : 2038, Prediction : 0.000000

Neg data

OPReactantPairId: 2006, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(NCC)O.CCNC(C)([OH2+])O.[OH2:10].O

OrbPairId : 3739, Prediction : 0.000000

Neg data

OPReactantPairId: 2798, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[O-:10].CC[O-].[OH3+]

OrbPairId : 2907, Prediction : 0.000000

Neg data

OPReactantPairId: 1621, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[O+:21]=[CH:20]CC1=CC=CC=C1.C[O+]=CCC1=CC=CC=C1

OrbPairId : 1621, Prediction : 0.000000

Neg data

OPReactantPairId: 3592, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr.[OH-:10].[OH-]

OrbPairId : 4208, Prediction : 0.000000

Neg data

OPReactantPairId: 2595, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.C1=CC=C(C=C1)C(=O)CC[CH:20]=[O:21].C1=CC=C(C=C1)C(=O)CCC=O

OrbPairId : 2689, Prediction : 0.000000

Neg data

OPReactantPairId: 2004, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C)([OH:10])[Br:21].CC(C)(O)Br

OrbPairId : 2036, Prediction : 0.000000

Neg data

OPReactantPairId: 2002, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20](C)Br.C[C+](C)Br.[OH2:10].O

OrbPairId : 2034, Prediction : 0.000000

Neg data

OPReactantPairId: 1849, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C=C)([OH:10])[Cl:21].CCOC(C=C)(O)Cl

OrbPairId : 1870, Prediction : 0.000000

Neg data

OPReactantPairId: 2064, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC1CCCC[C+:20]1C.CC1CCCC[C+]1C.[OH2:10].O

OrbPairId : 2101, Prediction : 0.000000
[H:20][C:21]1(CCCC[C+:22]1C)C.CC1CCCC[C+]1C.[OH2:10].O

OrbPairId : 2099, Prediction : 0.000000

Neg data

OPReactantPairId: 2796, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=C(C=C(C(=C1)[N+](=O)[O-])F)CC[CH2:20][Br:21].C1=C(C=C(C(=C1)[N+](=O)[O-])F)CCCBr

OrbPairId : 2905, Prediction : 0.000000

Neg data

OPReactantPairId: 2933, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1(C([Br+:21]1)C2=CC=CC=C2)C.CC1(C([Br+]1)C2=CC=CC=C2)C.[OH2:10].O

OrbPairId : 3064, Prediction : 0.000000

Neg data

OPReactantPairId: 2038, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC1C[O:10]1.CC1CO1.[OH3+]

OrbPairId : 2072, Prediction : 0.000000

Neg data

OPReactantPairId: 2335, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC#CC(C)[O-:10].CC#CC(C)[O-].[OH3+]

OrbPairId : 2398, Prediction : 0.000000

Neg data

OPReactantPairId: 2613, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC=C[C:20](=[O:21])C.CC=CC(=O)C.C[C:11](=[CH:10]C=C)[O-:12].CC(=CC=C)[O-]

OrbPairId : 3333, Prediction : 0.000000

Neg data

OPReactantPairId: 1694, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:10][C:20](C)(C)[OH2+:21].CCOC(C)(C)[OH2+]

OrbPairId : 1704, Prediction : 0.000000

Neg data

OPReactantPairId: 3415, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)CC=C)C(C)CC2=CC=CC=C2.CC(CC1=CC=CC=C1)C2C=C[C+](C=C2)CC=C.[F-:10].[F-]

OrbPairId : 4013, Prediction : 0.000000

Neg data

OPReactantPairId: 2066, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C)C1=CC=CC=C1.CC(=[OH+])C1=CC=CC=C1.[OH2:10].O

OrbPairId : 2102, Prediction : 0.000000

Neg data

OPReactantPairId: 2748, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])N(CC)CC.CCN(CC)C(=O)C.CC[O-:10].CC[O-]

OrbPairId : 3313, Prediction : 0.000000

Neg data

OPReactantPairId: 2748, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])N(CC)CC.CCN(CC)C(=O)C.CC[O-:10].CC[O-]

OrbPairId : 2854, Prediction : 0.000000

Neg data

OPReactantPairId: 2583, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
C[C:20](=[O:21])OC(=O)CCC=O.CC(=O)OC(=O)CCC=O.C[NH2:10].CN

OrbPairId : 2675, Prediction : 0.000000
CC(=O)O[C:20](=[O:21])CCC=O.CC(=O)OC(=O)CCC=O.C[NH2:10].CN

OrbPairId : 2676, Prediction : 0.000000

Neg data

OPReactantPairId: 2032, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=CC.CC=[OH+].[OH2:10].O

OrbPairId : 2065, Prediction : 0.000000

Neg data

OPReactantPairId: 2744, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C=C[C+:22]1N)C)N=NC2=CC=CC=C2.CC1=CC([C+](C=C1)N)N=NC2=CC=CC=C2.[Cl-:10].[Cl-]

OrbPairId : 2850, Prediction : 0.000000

Neg data

OPReactantPairId: 2032, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=CC.CC=[OH+].[OH2:10].O

OrbPairId : 3870, Prediction : 0.000000

Neg data

OPReactantPairId: 2893, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C:22](=[O:23])C(C)Br.CCC(=O)C(C)Br.[OH-:10].[OH-]

OrbPairId : 3017, Prediction : 0.000000

Neg data

OPReactantPairId: 1648, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2+:21][C:20](C)(N(CC)CC)[OH:10].CC[NH2+]C(C)(N(CC)CC)O

OrbPairId : 1650, Prediction : 0.000000

Neg data

OPReactantPairId: 2032, ReactionConditionsId: 8

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH:22]=[OH+:23].CC=[OH+].[OH2:10].O

OrbPairId : 2965, Prediction : 0.000000
C[CH:20]=[OH+:21].CC=[OH+].[OH2:10].O

OrbPairId : 2966, Prediction : 0.000000

Neg data

OPReactantPairId: 3536, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC(C)C(=O)C(C1=CC=CC=C1)C(CC2=CC=CC=C2)(C(C)C)[O-:10].CC(C)C(=O)C(C1=CC=CC=C1)C(CC2=CC=CC=C2)(C(C)C)[O-]

OrbPairId : 4143, Prediction : 0.000000

Neg data

OPReactantPairId: 2230, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CC(=O)OCC)(O)OCC.CCOC(=O)CC([OH2+])(O)OCC.[OH2:10].O

OrbPairId : 2283, Prediction : 0.000000

Neg data

OPReactantPairId: 2230, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CC(=O)OCC)(O)OCC.CCOC(=O)CC([OH2+])(O)OCC.[OH2:10].O

OrbPairId : 3825, Prediction : 0.000000

Neg data

OPReactantPairId: 2746, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:10](=[C:11](C)[O-:12])C.CC(=C(C)[O-])C.C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr

OrbPairId : 2852, Prediction : 0.000000

Neg data

OPReactantPairId: 2030, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC([NH:10]C)O.CC(NC)O.[OH3+]

OrbPairId : 3877, Prediction : 0.000000

Neg data

OPReactantPairId: 2746, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:10](=[C:11](C)[O-:12])C.CC(=C(C)[O-])C.C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr

OrbPairId : 3252, Prediction : 0.000000

Neg data

OPReactantPairId: 1492, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]CBr.C[CH+]CBr.[Br-:10].[Br-]

OrbPairId : 1484, Prediction : 0.000000

Neg data

OPReactantPairId: 2232, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCOC(=O)CC(O)(O)[O:10]CC.CCOC(=O)CC(O)(O)OCC.[OH3+]

OrbPairId : 3827, Prediction : 0.000000

Neg data

OPReactantPairId: 2232, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCOC(=O)CC(O)(O)[O:10]CC.CCOC(=O)CC(O)(O)OCC.[OH3+]

OrbPairId : 2285, Prediction : 0.000000

Neg data

OPReactantPairId: 3216, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC=NO[C:20](C)([O-:10])[O:21]C(=O)C.CC=NOC(C)([O-])OC(=O)C

OrbPairId : 3602, Prediction : 0.000000

Neg data

OPReactantPairId: 1984, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CC)N(C)C.CCC(N(C)C)[OH2+].[OH2:10].O

OrbPairId : 2013, Prediction : 0.000000

Neg data

OPReactantPairId: 2036, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC(O)[O:10]C.CCC(O)OC.[OH3+]

OrbPairId : 2070, Prediction : 0.000000

Neg data

OPReactantPairId: 2740, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[C-:10]#N.[C-]#N.C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr

OrbPairId : 2846, Prediction : 0.000000

Neg data

OPReactantPairId: 1765, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CN(C)[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CN(C)C1=CC=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 1781, Prediction : 0.000000
CN(C)[C:11]1=[CH:10]C=CC=C1.CN(C)C1=CC=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 1785, Prediction : 0.000000

Neg data

OPReactantPairId: 3596, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CCO[C:20](C)([OH:21])[O-:10].CCOC(C)(O)[O-]

OrbPairId : 4214, Prediction : 0.000000
CC[O:21][C:20](C)(O)[O-:10].CCOC(C)(O)[O-]

OrbPairId : 4215, Prediction : 0.000000

Neg data

OPReactantPairId: 2591, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][O:10][C:20](C)(C1=CC=CC=C1)[O:21]C(=O)CCC=O.[Li]OC(C)(C1=CC=CC=C1)OC(=O)CCC=O

OrbPairId : 2685, Prediction : 0.000000

Neg data

OPReactantPairId: 3330, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([NH:10]O)[OH2+:21].CC(NO)[OH2+]

OrbPairId : 3914, Prediction : 0.000000

Neg data

OPReactantPairId: 3218, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](=[N:22][O:23]C(=O)C)C.CC=NOC(=O)C.CC(=O)[O-:10].CC(=O)[O-]

OrbPairId : 3603, Prediction : 0.000000

Neg data

OPReactantPairId: 2010, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2+:21][C:20](C)(O)[OH:10].CC[NH2+]C(C)(O)O

OrbPairId : 2042, Prediction : 0.000000

Neg data

OPReactantPairId: 2010, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2+:21][C:20](C)(O)[OH:10].CC[NH2+]C(C)(O)O

OrbPairId : 3741, Prediction : 0.000000

Neg data

OPReactantPairId: 1763, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([C:23](=[CH:22]1)Br)N)Br.C1=C[C+](C(=CC1Br)Br)N.[Br-:10].[Br-]

OrbPairId : 1775, Prediction : 0.000000

Neg data

OPReactantPairId: 3250, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)Br.C1=CC=C(C=C1)Br.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3685, Prediction : 0.000000
C1=C[CH:10]=[C:11](C=C1)Br.C1=CC=C(C=C1)Br.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3686, Prediction : 0.000000

Neg data

OPReactantPairId: 3720, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC12CCC(=O)C(C1(CCC2=O)[O-:10])CCC3=CC(=CC=C3)OC.CC12CCC(=O)C(C1(CCC2=O)[O-])CCC3=CC(=CC=C3)OC.O

OrbPairId : 4352, Prediction : 0.000000

Neg data

OPReactantPairId: 2167, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(C)C(C)O.CC(C(C)(C)[OH2+])O.[OH2:10].O

OrbPairId : 2211, Prediction : 0.000000

Neg data

OPReactantPairId: 3470, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([C:5]2=[C:6](C=CC=C2)C=C[C+:22]1OC)C(C)C.CC(C)C1C2=C(C=CC=C2)C=C[C+]1OC.[F-:10].[F-]

OrbPairId : 4074, Prediction : 0.000000

Neg data

OPReactantPairId: 3090, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20](COC)[Br:21].CC(COC)Br

OrbPairId : 3370, Prediction : 0.000000

Neg data

OPReactantPairId: 3722, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([C:22](=[O:23])CCC2(C1(CCC2=O)O)C)CCC3=CC(=CC=C3)OC.CC12CCC(=O)C(C1(CCC2=O)O)CCC3=CC(=CC=C3)OC.[OH-:10].[OH-]

OrbPairId : 4354, Prediction : 0.000000

Neg data

OPReactantPairId: 1719, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[CH+:22]OC.CC[CH+]OC.C[O:10]CC=C.COCC=C

OrbPairId : 1730, Prediction : 0.000000

Neg data

OPReactantPairId: 1968, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(=CC)C.CC=C(C)[OH2+].[OH2:10].O

OrbPairId : 1996, Prediction : 0.000000

Neg data

OPReactantPairId: 3236, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CO[C:13]1=[C:12]([CH:11]=[CH:10]C=C1)Br.COC1=C(C=CC=C1)Br.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3659, Prediction : 0.000000
CO[C:11]1=[CH:10]C=CC=C1Br.COC1=CC=CC=C1Br.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3660, Prediction : 0.000000

Neg data

OPReactantPairId: 1646, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C)([NH+:21](CC)CC)[OH:10].CCNC(C)([NH+](CC)CC)O

OrbPairId : 1647, Prediction : 0.000000

Neg data

OPReactantPairId: 3481, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.[CH3:4][C:11](=[CH:10]CC1CCCCC1=O)[O-:12].CC(=CCC1CCCCC1=O)[O-]

OrbPairId : 4086, Prediction : 0.000000

Neg data

OPReactantPairId: 3234, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:13]1=[C:12]([CH:11]=[CH:10]C=C1Br)Br.COC1=C(C=CC=C1Br)Br.[Br:20][Br:21].BrBr

OrbPairId : 3651, Prediction : 0.000000

Neg data

OPReactantPairId: 1618, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[OH+:21][C:20](C1=CC=CC=C1)(O)[OH:10].C[OH+]C(C1=CC=CC=C1)(O)O

OrbPairId : 1618, Prediction : 0.000000

Neg data

OPReactantPairId: 3232, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CO[C:13]1=[C:12]([CH:11]=[CH:10]C=C1)Br.COC1=C(C=CC=C1)Br.[Br:20][Br:21].BrBr

OrbPairId : 3648, Prediction : 0.000000
CO[C:11]1=[CH:10]C=CC=C1Br.COC1=CC=CC=C1Br.[Br:20][Br:21].BrBr

OrbPairId : 3649, Prediction : 0.000000

Neg data

OPReactantPairId: 2891, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C:22](=[O:23])CC.CCC(=O)CC.[OH-:10].[OH-]

OrbPairId : 3015, Prediction : 0.000000

Neg data

OPReactantPairId: 1539, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC=C[CH2+:20].CC=C[CH2+].[Br-:10].[Br-]

OrbPairId : 1535, Prediction : 0.000000

Neg data

OPReactantPairId: 2236, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C=C[C:20](=[OH+:21])Cl.C=CC(=[OH+])Cl.[OH2:10].O

OrbPairId : 2289, Prediction : 0.000000

Neg data

OPReactantPairId: 3483, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])CCC1CCCCC1=O.CC[O-:10].CC[O-].CC(=O)CCC1CCCCC1=O

OrbPairId : 4088, Prediction : 0.000000

Neg data

OPReactantPairId: 2438, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])CCC(=O)N(C)C.CCOC(=O)CCC(=O)N(C)C.C[NH2:10].CN

OrbPairId : 2512, Prediction : 0.000000

Neg data

OPReactantPairId: 2084, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1(C[OH+:21]1)C.CC1(C[OH+]1)C.[OH2:10].O

OrbPairId : 2121, Prediction : 0.000000

Neg data

OPReactantPairId: 1709, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]1C[Br+:21]1.CC1C[Br+]1.[Br-:10].[Br-]

OrbPairId : 1720, Prediction : 0.000000

Neg data

OPReactantPairId: 2179, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[NH:10]C(C=C)(O)O.CCNC(C=C)(O)O.[OH3+]

OrbPairId : 2224, Prediction : 0.000000

Neg data

OPReactantPairId: 1937, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(O)Cl.CC([OH2+])(O)Cl.[OH2:10].O

OrbPairId : 3842, Prediction : 0.000000

Neg data

OPReactantPairId: 1994, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(C)C(C)C.CC(C)C(C)(C)[OH2+].[OH2:10].O

OrbPairId : 2026, Prediction : 0.000000

Neg data

OPReactantPairId: 3489, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]=[O:21].CCC=O.C[CH:10]=[CH:11][O-:12].CC=C[O-]

OrbPairId : 4094, Prediction : 0.000000

Neg data

OPReactantPairId: 3202, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=NO[C:20](C)([O-:10])[O:21]C(=O)C)C.CC(=NOC(C)([O-])OC(=O)C)C

OrbPairId : 3587, Prediction : 0.000000

Neg data

OPReactantPairId: 1527, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1CCCC([C+:20]1C)(C)C.CC1CCCC([C+]1C)(C)C.[Br-:10].[Br-]

OrbPairId : 1523, Prediction : 0.000000

Neg data

OPReactantPairId: 3491, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.[CH:11]1=[CH:10]C2=CC=C(C=C2C=C1)C#N.C1=CC2=CC=C(C=C2C=C1)C#N

OrbPairId : 4097, Prediction : 0.000000
C[CH+:20]C.C[CH+]C.C1=CC2=CC=C(C=C2[CH:10]=[CH:11]1)C#N.C1=CC2=CC=C(C=C2C=C1)C#N

OrbPairId : 4100, Prediction : 0.000000

Neg data

OPReactantPairId: 1890, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=CC(=C2)C#N)Br.C1=CC2=C(C=CC(=C2)C#N)C([CH+]1)Br.[Br-:10].[Br-]

OrbPairId : 1916, Prediction : 0.000000

Neg data

OPReactantPairId: 3200, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=N[OH:10])C.CC(=NO)C.CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C

OrbPairId : 3585, Prediction : 0.000000

Neg data

OPReactantPairId: 1996, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(O)OC(=O)C=C.CC([OH2+])(O)OC(=O)C=C.[OH2:10].O

OrbPairId : 2028, Prediction : 0.000000

Neg data

OPReactantPairId: 3119, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]C(C)CBr.CC(CBr)O

OrbPairId : 3480, Prediction : 0.000000

Neg data

OPReactantPairId: 2436, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].CC(C)[CH:20](C)[Br:21].CC(C)C(C)Br

OrbPairId : 2510, Prediction : 0.000000
[H:20][C:21](C)(C)[CH:22](C)[Br:23].CC[O-:10].CC[O-].CC(C)C(C)Br

OrbPairId : 2513, Prediction : 0.000000

Neg data

OPReactantPairId: 3497, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=C(C=C2)C#N)C(C)C.CC(C)C1[CH+]C=CC2=C1C=C(C=C2)C#N.[F-:10].[F-]

OrbPairId : 4103, Prediction : 0.000000

Neg data

OPReactantPairId: 1863, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20]1(C([Br+:21]1)C)C.CCC1(C([Br+]1)C)C.[Br-:10].[Br-]

OrbPairId : 1886, Prediction : 0.000000

Neg data

OPReactantPairId: 1990, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C1(CCC(C1)CC)C.CCC1CCC(C1)(C)[OH2+].[OH2:10].O

OrbPairId : 2021, Prediction : 0.000000

Neg data

OPReactantPairId: 3206, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCC(C)[OH:10].CCC(C)O.CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C

OrbPairId : 3592, Prediction : 0.000000

Neg data

OPReactantPairId: 1529, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].COC[CH:11]=[CH2:10].COCC=C.Br

OrbPairId : 1525, Prediction : 0.000000

Neg data

OPReactantPairId: 3495, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([C:10](=[CH:11][O-:12])C)[OH:21].CC(C(=C[O-])C)O

OrbPairId : 4101, Prediction : 0.000000

Neg data

OPReactantPairId: 1698, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.[CH2:20]=[CH:21][C:22](=[O:23])N.C=CC(=O)N

OrbPairId : 2915, Prediction : 0.000000

Neg data

OPReactantPairId: 3499, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=CC(=C2)C#N)C(C)C.CC(C)C1[CH+]C=CC2=C1C=CC(=C2)C#N.[F-:10].[F-]

OrbPairId : 4106, Prediction : 0.000000

Neg data

OPReactantPairId: 1596, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:10][C:11](C)(C=O)[CH+:20]CC.CC[CH+]C(C)C=O

OrbPairId : 1596, Prediction : 0.000000

Neg data

OPReactantPairId: 3559, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C(C1=CC=CC=C1)O)[C:22](=[O:23])C.CC[O-:10].CC[O-].CC(=O)CC(C1=CC=CC=C1)O

OrbPairId : 4173, Prediction : 0.000000

Neg data

OPReactantPairId: 2169, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[CH:20]=[N:21]C=C1.C1=CC=NC=C1.[NH2-:10].[NH2-]

OrbPairId : 2214, Prediction : 0.000000

Neg data

OPReactantPairId: 1751, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1=[CH:3][Br+:21]1.CC1=C[Br+]1.[Br-:10].[Br-]

OrbPairId : 1764, Prediction : 0.000000

Neg data

OPReactantPairId: 2109, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](CC(=O)C)(O)[OH:10].CC[OH+]C(CC(=O)C)(O)O

OrbPairId : 3892, Prediction : 0.000000

Neg data

OPReactantPairId: 2109, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](CC(=O)C)(O)[OH:10].CC[OH+]C(CC(=O)C)(O)O

OrbPairId : 2147, Prediction : 0.000000

Neg data

OPReactantPairId: 3109, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CCCC1C(O1)C.CC1C(O1)CCCO

OrbPairId : 3466, Prediction : 0.000000

Neg data

OPReactantPairId: 2088, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(NC)O.CC(NC)([OH2+])O.[OH2:10].O

OrbPairId : 3751, Prediction : 0.000000

Neg data

OPReactantPairId: 2088, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(NC)O.CC(NC)([OH2+])O.[OH2:10].O

OrbPairId : 2125, Prediction : 0.000000

Neg data

OPReactantPairId: 2107, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CC(=O)C)(O)OCC.CCOC(CC(=O)C)([OH2+])O.[OH2:10].O

OrbPairId : 2145, Prediction : 0.000000

Neg data

OPReactantPairId: 2107, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CC(=O)C)(O)OCC.CCOC(CC(=O)C)([OH2+])O.[OH2:10].O

OrbPairId : 3888, Prediction : 0.000000

Neg data

OPReactantPairId: 2105, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[OH+:21])CC(=O)C.CCOC(=[OH+])CC(=O)C.[OH2:10].O

OrbPairId : 3885, Prediction : 0.000000

Neg data

OPReactantPairId: 2086, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[N:12](C)[CH:11]=[CH2:10].CN(C)C=C.[OH3+]

OrbPairId : 2124, Prediction : 0.000000

Neg data

OPReactantPairId: 1875, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10][CH:20](C)[NH2+:21]C.CCNC(C)[NH2+]C

OrbPairId : 1898, Prediction : 0.000000

Neg data

OPReactantPairId: 2105, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[OH+:21])CC(=O)C.CCOC(=[OH+])CC(=O)C.[OH2:10].O

OrbPairId : 2143, Prediction : 0.000000

Neg data

OPReactantPairId: 2177, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C=C)(NCC)O.CCNC(C=C)([OH2+])O.[OH2:10].O

OrbPairId : 2221, Prediction : 0.000000

Neg data

OPReactantPairId: 3032, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](C)(C)CC.CC[NH+](C)C.[I-:10].[I-]

OrbPairId : 3168, Prediction : 0.000000

Neg data

OPReactantPairId: 2996, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1(CCCC1)[CH:20]2C[Br+:21]2.CC1(CCCC1)C2C[Br+]2.[OH2:10].O

OrbPairId : 3130, Prediction : 0.000000

Neg data

OPReactantPairId: 3549, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCC(C)(C(C)C(=O)C)[O-:10].CCC(C)(C(C)C(=O)C)[O-].CCO

OrbPairId : 4162, Prediction : 0.000000

Neg data

OPReactantPairId: 1892, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(O)OCC.CCOC(C)([OH2+])O.[OH2:10].O

OrbPairId : 1918, Prediction : 0.000000

Neg data

OPReactantPairId: 2175, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](=[OH+:21])C=C.CCNC(=[OH+])C=C.[OH2:10].O

OrbPairId : 2220, Prediction : 0.000000

Neg data

OPReactantPairId: 2554, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])CCC(=O)N(C)C.CCOC(=O)CCC(=O)N(C)C.[C-:10]#N.[C-]#N

OrbPairId : 2643, Prediction : 0.000000

Neg data

OPReactantPairId: 3555, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](CCCCC(=O)OCC)[C:22](=[O:23])OCC.CC[O-:10].CC[O-].CCOC(=O)CCCCCC(=O)OCC

OrbPairId : 4168, Prediction : 0.000000

Neg data

OPReactantPairId: 2556, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)CC=C(C)[O-].CC[NH2+]CC=C(C)[O-].[OH2:10].O

OrbPairId : 2646, Prediction : 0.000000

Neg data

OPReactantPairId: 2550, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C)([C:21]#N)[O-:10].CC(C)(C#N)[O-]

OrbPairId : 4022, Prediction : 0.000000

Neg data

OPReactantPairId: 2550, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C)([C:21]#N)[O-:10].CC(C)(C#N)[O-]

OrbPairId : 2639, Prediction : 0.000000

Neg data

OPReactantPairId: 2550, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C)([C:21]#N)[O-:10].CC(C)(C#N)[O-]

OrbPairId : 3527, Prediction : 0.000000

Neg data

OPReactantPairId: 2115, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](=CCCO)C.C[NH+]=CCCO.[OH2:10].O

OrbPairId : 2153, Prediction : 0.000000

Neg data

OPReactantPairId: 1480, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CCC1(C[O:10]1)C.CCC1(CO1)C.Br

OrbPairId : 1477, Prediction : 0.000000

Neg data

OPReactantPairId: 1731, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:11]1=[CH:10]C=C(C=C1Br)Br.CCOC1=CC=C(C=C1Br)Br.[Br:20][Br:21].BrBr

OrbPairId : 1744, Prediction : 0.000000

Neg data

OPReactantPairId: 1932, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C=C([C+:22]1O)Br)Br)Br.C1=C(C=C([C+](C1Br)O)Br)Br.[Br-:10].[Br-]

OrbPairId : 1959, Prediction : 0.000000

Neg data

OPReactantPairId: 3643, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C[C:20]([OH:21])([O-:10])OC.CC(O)([O-])OC

OrbPairId : 4264, Prediction : 0.000000
C[C:20](O)([O-:10])[O:21]C.CC(O)([O-])OC

OrbPairId : 4265, Prediction : 0.000000

Neg data

OPReactantPairId: 3179, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH:21](C1=CC=CC=C1)[C:22](=[O:23])C(C)C.CC(C)C(=O)CC1=CC=CC=C1

OrbPairId : 3558, Prediction : 0.000000

Neg data

OPReactantPairId: 3260, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[CH:10]=[C:11](C=C1)OCCC[C+:20]=O.C1=CC=C(C=C1)OCCC[C+]=O

OrbPairId : 3701, Prediction : 0.000000

Neg data

OPReactantPairId: 2530, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC#CC(C)(C#CC)[O-:10].CC#CC(C)(C#CC)[O-].[OH3+]

OrbPairId : 2617, Prediction : 0.000000

Neg data

OPReactantPairId: 1964, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1CC[OH+:21][CH:20](C1)[OH:10].C1CC[OH+]C(C1)O

OrbPairId : 3729, Prediction : 0.000000

Neg data

OPReactantPairId: 2520, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])Cl.CC(=O)Cl.[CH2:10]=[CH:11][O-:12].C=C[O-]

OrbPairId : 3315, Prediction : 0.000000

Neg data

OPReactantPairId: 2520, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])Cl.CC(=O)Cl.[CH2:10]=[CH:11][O-:12].C=C[O-]

OrbPairId : 2607, Prediction : 0.000000

Neg data

OPReactantPairId: 1470, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CC(C)CC[OH:10].CC(C)CCO.Br

OrbPairId : 1465, Prediction : 0.000000

Neg data

OPReactantPairId: 3742, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[C:21](=[C:20](C=C1)F)[N+](=O)[O-].C1=CC(=C(C=C1)F)[N+](=O)[O-].[OH-:10].[OH-]

OrbPairId : 4376, Prediction : 0.000000

Neg data

OPReactantPairId: 3641, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C=O.C(=O)O.[OH-:10].[OH-]

OrbPairId : 4262, Prediction : 0.000000

Neg data

OPReactantPairId: 3238, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CCO[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CCOC1=CC=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3664, Prediction : 0.000000
CCO[C:11]1=[CH:10]C=CC=C1.CCOC1=CC=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3665, Prediction : 0.000000

Neg data

OPReactantPairId: 1614, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[CH:20]=[O:21].CC=O

OrbPairId : 2308, Prediction : 0.000000

Neg data

OPReactantPairId: 1966, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[C:10]#[C:11]C.CC#CC.[OH3+]

OrbPairId : 1994, Prediction : 0.000000

Neg data

OPReactantPairId: 3579, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)[N+](=O)[O-].C(C#N)[N+](=O)[O-].[OH-:10].[OH-]

OrbPairId : 4194, Prediction : 0.000000

Neg data

OPReactantPairId: 2522, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.[CH2:10]=[CH:11][N:12]1CCCCC1.C=CN1CCCCC1

OrbPairId : 2609, Prediction : 0.000000

Neg data

OPReactantPairId: 1837, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)[C:22](=[OH+:23])[CH:21]=[CH2:20].CCN(CC)C(=[OH+])C=C.CC[OH:10].CCO

OrbPairId : 1858, Prediction : 0.000000

Neg data

OPReactantPairId: 2522, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.[CH2:10]=[CH:11][N:12]1CCCCC1.C=CN1CCCCC1

OrbPairId : 3187, Prediction : 0.000000

Neg data

OPReactantPairId: 1553, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)C.CC[NH:10]CC.CCNCC.CC(=O)O

OrbPairId : 1549, Prediction : 0.000000

Neg data

OPReactantPairId: 2092, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)N(C)C.CC(N(C)C)[OH2+].[OH2:10].O

OrbPairId : 2129, Prediction : 0.000000

Neg data

OPReactantPairId: 3547, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([CH-:10][N+](=O)[O-])[OH:21].CC([CH-][N+](=O)[O-])O

OrbPairId : 4156, Prediction : 0.000000

Neg data

OPReactantPairId: 3740, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C(C[O-])[CH2:20][Br:21].C(C[O-])CBr.[OH-:10].[OH-]

OrbPairId : 4373, Prediction : 0.000000

Neg data

OPReactantPairId: 1561, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](C)(N)[OH:10].CC[OH+]C(C)(N)O

OrbPairId : 1556, Prediction : 0.000000

Neg data

OPReactantPairId: 3298, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](O)([OH:10])[OH+:21]CC.CCC(O)(O)[OH+]CC

OrbPairId : 3801, Prediction : 0.000000

Neg data

OPReactantPairId: 2994, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC=C[CH:20]1C([Br+:21]1)C.CC=CC1C([Br+]1)C.[OH2:10].O

OrbPairId : 3127, Prediction : 0.000000
CC=CC1[CH:20]([Br+:21]1)C.CC=CC1C([Br+]1)C.[OH2:10].O

OrbPairId : 3129, Prediction : 0.000000

Neg data

OPReactantPairId: 2524, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)[C:20](=[O:21])C.CCN(CC)C(=O)C.CC#[C-:10].CC#[C-]

OrbPairId : 2611, Prediction : 0.000000

Neg data

OPReactantPairId: 3030, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)CC.CC[NH2+]C.[I-:10].[I-]

OrbPairId : 3166, Prediction : 0.000000

Neg data

OPReactantPairId: 3537, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C1=CC=CC=C1)([C:22](=[O:23])C(C)C)C(CC2=CC=CC=C2)(C(C)C)O.CC[O-:10].CC[O-].CC(C)C(=O)C(C1=CC=CC=C1)C(CC2=CC=CC=C2)(C(C)C)O

OrbPairId : 4144, Prediction : 0.000000

Neg data

OPReactantPairId: 1908, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1CC[OH+:21][C:20](C1)(O)[OH:10].C1CC[OH+]C(C1)(O)O

OrbPairId : 3847, Prediction : 0.000000

Neg data

OPReactantPairId: 1908, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1CC[OH+:21][C:20](C1)(O)[OH:10].C1CC[OH+]C(C1)(O)O

OrbPairId : 1934, Prediction : 0.000000

Neg data

OPReactantPairId: 2615, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])C.CC(=O)C.[CH2-:10]C1=CC=NC=C1.[CH2-]C1=CC=NC=C1

OrbPairId : 2709, Prediction : 0.000000

Neg data

OPReactantPairId: 3770, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC=CC(C)(C(C=C)C(=O)C)[O-:10].CC=CC(C)(C(C=C)C(=O)C)[O-].O

OrbPairId : 4408, Prediction : 0.000000

Neg data

OPReactantPairId: 2279, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1CC(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)(O)[O:10]CCO.C1CC(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)(O)OCCO.[OH3+]

OrbPairId : 2338, Prediction : 0.000000

Neg data

OPReactantPairId: 2504, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](CCC=C([O-])OC)([NH+:21]1CCCC1)[OH:10].CC(CCC=C([O-])OC)([NH+]1CCCC1)O

OrbPairId : 2588, Prediction : 0.000000

Neg data

OPReactantPairId: 3117, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]C(=O)C=C(CC1=CC=CC=C1)O.C1=CC=C(C=C1)CC(=CC(=O)O)O

OrbPairId : 3476, Prediction : 0.000000

Neg data

OPReactantPairId: 1632, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C(C[C:20](=[OH+:21])O)C[OH:10].C(CC(=[OH+])O)CO

OrbPairId : 1633, Prediction : 0.000000

Neg data

OPReactantPairId: 3567, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC(CC#N)[O-:10].CC(CC#N)[O-]

OrbPairId : 4181, Prediction : 0.000000

Neg data

OPReactantPairId: 3651, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:10]1=[C:11](CCC2([C:20]1(CCCC2)[OH:21])C)[O-:12].CC1=C(CCC2(C1(CCCC2)O)C)[O-]

OrbPairId : 4273, Prediction : 0.000000

Neg data

OPReactantPairId: 3756, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C:22](=[O:23])CCC1(CCCCC1=O)C.CCC(=O)CCC1(CCCCC1=O)C.[OH-:10].[OH-]

OrbPairId : 4391, Prediction : 0.000000

Neg data

OPReactantPairId: 3115, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
CC1[CH:20]([O:21]1)[O-:10].CC1C(O1)[O-]

OrbPairId : 3474, Prediction : 0.000000

Neg data

OPReactantPairId: 1628, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1CC[C:20](=[O:21])C(C1)CCC[NH2:10].C1CCC(=O)C(C1)CCCN

OrbPairId : 1629, Prediction : 0.000000

Neg data

OPReactantPairId: 1902, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=CC(C)C.CC(C)C=[OH+].[OH2:10].O

OrbPairId : 1928, Prediction : 0.000000

Neg data

OPReactantPairId: 1936, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])Cl.CC(=[OH+])Cl.[OH2:10].O

OrbPairId : 1963, Prediction : 0.000000

Neg data

OPReactantPairId: 3565, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C)([CH-:10]C#N)[OH:21].CC(C)([CH-]C#N)O

OrbPairId : 4179, Prediction : 0.000000

Neg data

OPReactantPairId: 3264, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.C[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CC1=CC=CC=C1

OrbPairId : 3705, Prediction : 0.000000
C[C+:20]=O.C[C+]=O.C[C:11]1=[CH:10]C=CC=C1.CC1=CC=CC=C1

OrbPairId : 3706, Prediction : 0.000000

Neg data

OPReactantPairId: 3290, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C(C)C(=O)OCC)(O)OCC.CCOC(=O)C(C)C([OH2+])(O)OCC.[OH2:10].O

OrbPairId : 3793, Prediction : 0.000000

Neg data

OPReactantPairId: 1545, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:11]=[CH:10][CH2+:20].C=C[CH2+]

OrbPairId : 1541, Prediction : 0.000000

Neg data

OPReactantPairId: 2619, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC=C[C:20](C)([C:10](=[C:11](C)[O-:12])C=C)[OH:21].CC=CC(C)(C(=C(C)[O-])C=C)O

OrbPairId : 3335, Prediction : 0.000000

Neg data

OPReactantPairId: 2635, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)C=C.CC(=C)[N:10]1CCCC1.CC(=C)N1CCCC1.C=CC(=O)O

OrbPairId : 2732, Prediction : 0.000000

Neg data

OPReactantPairId: 3750, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].[CH3:4][C:11](=[CH:10]CC1CCCCC1=O)[O-:12].CC(=CCC1CCCCC1=O)[O-].O

OrbPairId : 4385, Prediction : 0.000000

Neg data

OPReactantPairId: 1732, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C=C([C+:22]1OCC)Br)Br)Br.CCO[C+]1C(C=C(C=C1Br)Br)Br.[Br-:10].[Br-]

OrbPairId : 1745, Prediction : 0.000000

Neg data

OPReactantPairId: 3266, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CCO[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CCOC1=CC=CC=C1.C[CH+:20]C.C[CH+]C

OrbPairId : 3708, Prediction : 0.000000
CCO[C:11]1=[CH:10]C=CC=C1.CCOC1=CC=CC=C1.C[CH+:20]C.C[CH+]C

OrbPairId : 3710, Prediction : 0.000000

Neg data

OPReactantPairId: 1934, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[C:13](=[C:12]([CH:11]=[CH:10]1)Br)O.C1=CC(=C(C=C1)Br)O.[Br:20][Br:21].BrBr

OrbPairId : 1961, Prediction : 0.000000

Neg data

OPReactantPairId: 3563, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC(C)(CC#N)[O-:10].CC(C)(CC#N)[O-]

OrbPairId : 4176, Prediction : 0.000000

Neg data

OPReactantPairId: 2637, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=[N+]1CCCC1)C[C:20](C=C)([O-:10])[O:21]C(=O)C.CC(=[N+]1CCCC1)CC(C=C)([O-])OC(=O)C

OrbPairId : 2734, Prediction : 0.000000

Neg data

OPReactantPairId: 2532, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[N+:23](CC)CC)C#CC.CC[N+](=C(C)C#CC)CC.[OH2:10].O

OrbPairId : 2619, Prediction : 0.000000

Neg data

OPReactantPairId: 3752, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].C1CCC2(CC(=O)CCC2C1)[O-:10].C1CCC2(CC(=O)CCC2C1)[O-].O

OrbPairId : 4387, Prediction : 0.000000

Neg data

OPReactantPairId: 2817, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.COC(=O)C1CC[C:20](=[O:21])CC1.COC(=O)C1CCC(=O)CC1

OrbPairId : 2927, Prediction : 0.000000

Neg data

OPReactantPairId: 2607, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].C[N:23]=[CH:22][CH:21]=[CH2:20].CN=CC=C

OrbPairId : 2701, Prediction : 0.000000

Neg data

OPReactantPairId: 2607, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].C[N:23]=[CH:22][CH:21]=[CH2:20].CN=CC=C

OrbPairId : 3283, Prediction : 0.000000

Neg data

OPReactantPairId: 1600, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[OH:10].CC(C)O.CC(C)[O+:21]=[C:20](C)C.CC(C)[O+]=C(C)C

OrbPairId : 1600, Prediction : 0.000000

Neg data

OPReactantPairId: 3105, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[N+:23]1CCCC1)CCCC=NC.CC(=C)[N:10]1CCCC1.CC(=C)N1CCCC1.CC(=[N+]1CCCC1)CCCC=NC

OrbPairId : 3458, Prediction : 0.000000

Neg data

OPReactantPairId: 2394, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20]1([CH2:21]C1C)[O-:10].CCOC1(CC1C)[O-]

OrbPairId : 2466, Prediction : 0.000000

Neg data

OPReactantPairId: 2394, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20]1([CH2:21]C1C)[O-:10].CCOC1(CC1C)[O-]

OrbPairId : 3389, Prediction : 0.000000

Neg data

OPReactantPairId: 3758, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([C:22](=[O:23])CCC2(C1(CCCC2)O)C)C.CC1C(=O)CCC2(C1(CCCC2)O)C.[OH-:10].[OH-]

OrbPairId : 4393, Prediction : 0.000000

Neg data

OPReactantPairId: 2247, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(CC(=O)O)O.C(C(=[OH+])O)C(=O)O.[OH2:10].O

OrbPairId : 2301, Prediction : 0.000000

Neg data

OPReactantPairId: 2819, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[Li:11][O:10]C1(CCC(CC1)C(=O)OC)C2=CC=CC=C2.[Li]OC1(CCC(CC1)C(=O)OC)C2=CC=CC=C2.[OH3+]

OrbPairId : 2929, Prediction : 0.000000

Neg data

OPReactantPairId: 3107, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][C:21]#CC.CC#C

OrbPairId : 3464, Prediction : 0.000000

Neg data

OPReactantPairId: 3028, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C)([O-:10])[O:21]C(=[N:5]C1CCCCC1)NC2CCCCC2.CCNC(C)([O-])OC(=NC1CCCCC1)NC2CCCCC2

OrbPairId : 3164, Prediction : 0.000000

Neg data

OPReactantPairId: 2277, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(CCO)O.C(CO)C(=[OH+])O.[OH2:10].O

OrbPairId : 2335, Prediction : 0.000000

Neg data

OPReactantPairId: 2500, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCNC[CH:10]=[C:11](N(CC)CC)[O-:12].CCNCC=C(N(CC)CC)[O-].[OH3+]

OrbPairId : 2584, Prediction : 0.000000

Neg data

OPReactantPairId: 2609, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](=O)[O-:10].CC(=O)OC(=O)[O-]

OrbPairId : 2703, Prediction : 0.000000

Neg data

OPReactantPairId: 2609, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](=O)[O-:10].CC(=O)OC(=O)[O-]

OrbPairId : 3509, Prediction : 0.000000

Neg data

OPReactantPairId: 3169, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CCC(=O)OC(=O)C.CC(=O)OC(=O)CCO

OrbPairId : 3545, Prediction : 0.000000

Neg data

OPReactantPairId: 2096, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[O:10]C(CCC#N)(O)O.CCOC(CCC#N)(O)O.[OH3+]

OrbPairId : 2133, Prediction : 0.000000

Neg data

OPReactantPairId: 3208, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCC(C)O[C:20](C)([O-:10])[O:21]C(=O)C.CCC(C)OC(C)([O-])OC(=O)C

OrbPairId : 3594, Prediction : 0.000000

Neg data

OPReactantPairId: 2879, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:10](=[C:11](NC)[O-:12])Br.CC(=C(NC)[O-])Br.[Br:20][Br:21].BrBr

OrbPairId : 3002, Prediction : 0.000000

Neg data

OPReactantPairId: 2629, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr.[CH-:10](C#N)C#N.[CH-](C#N)C#N

OrbPairId : 2725, Prediction : 0.000000

Neg data

OPReactantPairId: 2506, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)CC[C:20](C#N)([O-:10])[Cl:21].CC(=O)CCC(C#N)([O-])Cl

OrbPairId : 2590, Prediction : 0.000000

Neg data

OPReactantPairId: 2625, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][O:10][C:20](C1CCC2(CC1)OCCO2)(C3=CC=CC=C3)[O:21]C.[Li]OC(C1CCC2(CC1)OCCO2)(C3=CC=CC=C3)OC

OrbPairId : 2719, Prediction : 0.000000

Neg data

OPReactantPairId: 3371, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]12[CH:5]=[CH:6]C=C[C+:22]1OCCC2C.CC1CCO[C+]2C1C=CC=C2.[F-:10].[F-]

OrbPairId : 3959, Prediction : 0.000000

Neg data

OPReactantPairId: 2875, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(O)(O)[OH:10].CC(O)(O)O.[OH3+]

OrbPairId : 2998, Prediction : 0.000000

Neg data

OPReactantPairId: 2558, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)[C:22](=[O:23])[CH:21]=[CH2:20].CCN(CC)C(=O)C=C.C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1

OrbPairId : 3325, Prediction : 0.000000

Neg data

OPReactantPairId: 2558, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)[C:22](=[O:23])[CH:21]=[CH2:20].CCN(CC)C(=O)C=C.C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1

OrbPairId : 2648, Prediction : 0.000000

Neg data

OPReactantPairId: 2150, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)CC(=O)C=[C:20]([O-:10])[Cl:21].C1=CC=C(C=C1)CC(=O)C=C([O-])Cl

OrbPairId : 2192, Prediction : 0.000000

Neg data

OPReactantPairId: 2508, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].C[C:20](=[O:21])OC(=O)C=C.CC(=O)OC(=O)C=C

OrbPairId : 2593, Prediction : 0.000000
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].CC(=O)O[C:20](=[O:21])C=C.CC(=O)OC(=O)C=C

OrbPairId : 2594, Prediction : 0.000000

Neg data

OPReactantPairId: 2873, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:10]=[C:11](NC)[O-:12].CC=C(NC)[O-].[Br:20][Br:21].BrBr

OrbPairId : 2996, Prediction : 0.000000

Neg data

OPReactantPairId: 2508, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].C[C:20](=[O:21])OC(=O)C=C.CC(=O)OC(=O)C=C

OrbPairId : 3350, Prediction : 0.000000
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].CC(=O)O[C:20](=[O:21])C=C.CC(=O)OC(=O)C=C

OrbPairId : 3351, Prediction : 0.000000

Neg data

OPReactantPairId: 2623, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)[N+](=O)[O-].CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=O)C[N+](=O)[O-]

OrbPairId : 3439, Prediction : 0.000000

Neg data

OPReactantPairId: 2623, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)[N+](=O)[O-].CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=O)C[N+](=O)[O-]

OrbPairId : 2717, Prediction : 0.000000

Neg data

OPReactantPairId: 3036, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)C1C(CCCC1C=CC)C.CC=CC1CCCC(C1[NH2+]C)C.[I-:10].[I-]

OrbPairId : 3172, Prediction : 0.000000

Neg data

OPReactantPairId: 2217, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(O)OC(=O)C.CC(=O)OC(C)([OH2+])O.[OH2:10].O

OrbPairId : 2267, Prediction : 0.000000

Neg data

OPReactantPairId: 2217, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(O)OC(=O)C.CC(=O)OC(C)([OH2+])O.[OH2:10].O

OrbPairId : 3757, Prediction : 0.000000

Neg data

OPReactantPairId: 3450, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1(CCC[C:11](=[CH:10]1)[O-:12])[OH:21].CC1(CCCC(=C1)[O-])O

OrbPairId : 4054, Prediction : 0.000000

Neg data

OPReactantPairId: 2869, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C:22](=[O:23])NC.CCC(=O)NC.[OH-:10].[OH-]

OrbPairId : 2993, Prediction : 0.000000

Neg data

OPReactantPairId: 2215, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[C:20](=[O:21])CC1=CC=CC=C1.CC(C)C(=O)CC1=CC=CC=C1.CC(C)[C:11](=[CH:10]C1=CC=CC=C1)[O-:12].CC(C)C(=CC1=CC=CC=C1)[O-]

OrbPairId : 2266, Prediction : 0.000000

Neg data

OPReactantPairId: 2215, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[C:20](=[O:21])CC1=CC=CC=C1.CC(C)C(=O)CC1=CC=CC=C1.CC(C)[C:11](=[CH:10]C1=CC=CC=C1)[O-:12].CC(C)C(=CC1=CC=CC=C1)[O-]

OrbPairId : 3438, Prediction : 0.000000

Neg data

OPReactantPairId: 2213, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])OC(=O)C.CC(=[OH+])OC(=O)C.[OH2:10].O

OrbPairId : 2263, Prediction : 0.000000

Neg data

OPReactantPairId: 2213, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])OC(=O)C.CC(=[OH+])OC(=O)C.[OH2:10].O

OrbPairId : 3752, Prediction : 0.000000

Neg data

OPReactantPairId: 2668, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C=C[C+:22]1N(C)C)C)N=NC2=CC=CC=C2.CC1=CC([C+](C=C1)N(C)C)N=NC2=CC=CC=C2.[Cl-:10].[Cl-]

OrbPairId : 2766, Prediction : 0.000000

Neg data

OPReactantPairId: 3103, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[N+:23]1CCCC1)CCCC(=O)OC.CC(=C)[N:10]1CCCC1.CC(=C)N1CCCC1.CC(=[N+]1CCCC1)CCCC(=O)OC

OrbPairId : 3451, Prediction : 0.000000

Neg data

OPReactantPairId: 2639, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21]1(CCCC1)C(=C)C.CC(=C)[NH+]1CCCC1.CC(=O)[O-:10].CC(=O)[O-]

OrbPairId : 2736, Prediction : 0.000000

Neg data

OPReactantPairId: 3575, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C(C[CH2:20][Br:21])CO.C(CCBr)CO.[OH-:10].[OH-]

OrbPairId : 4189, Prediction : 0.000000

Neg data

OPReactantPairId: 3361, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C(CC1=CC=CC=C1)NC(=O)C)(O)OCC.CCOC(C(CC1=CC=CC=C1)NC(=O)C)([OH2+])O.[OH2:10].O

OrbPairId : 3949, Prediction : 0.000000

Neg data

OPReactantPairId: 2861, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]=[C:22](C)[Br:23].CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CC(=C)Br

OrbPairId : 2977, Prediction : 0.000000

Neg data

OPReactantPairId: 3625, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])C.CC(=O)C.[OH-:10].[OH-]

OrbPairId : 4244, Prediction : 0.000000

Neg data

OPReactantPairId: 2205, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH2:21].C1=CC(=[C-:10]N=C1)N.C1=CC(=[C-]N=C1)N.N

OrbPairId : 2254, Prediction : 0.000000

Neg data

OPReactantPairId: 1906, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10][CH:20](CCC(=O)C)[OH2+:21].CCNC(CCC(=O)C)[OH2+]

OrbPairId : 1932, Prediction : 0.000000

Neg data

OPReactantPairId: 3294, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](=[OH+:21])OCC.CCC(=[OH+])OCC.[OH2:10].O

OrbPairId : 3797, Prediction : 0.000000

Neg data

OPReactantPairId: 3577, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C1CC[CH:20](C(C1)Br)[Br:21].C1CCC(C(C1)Br)Br.[OH-:10].[OH-]

OrbPairId : 4191, Prediction : 0.000000
[H:20][C:21]1(CCCC[CH:22]1[Br:23])Br.C1CCC(C(C1)Br)Br.[OH-:10].[OH-]

OrbPairId : 4192, Prediction : 0.000000

Neg data

OPReactantPairId: 2207, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(C)CC.CCC(C)(C)[OH2+].[OH2:10].O

OrbPairId : 2257, Prediction : 0.000000

Neg data

OPReactantPairId: 3464, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.[CH:11]1=[CH:10]C2=CC=CC(=C2C=C1)C#N.C1=CC2=CC=CC(=C2C=C1)C#N

OrbPairId : 4068, Prediction : 0.000000

Neg data

OPReactantPairId: 3627, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(CC=O)[O-:10].CC(CC=O)[O-].O

OrbPairId : 4246, Prediction : 0.000000

Neg data

OPReactantPairId: 3296, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CCC(=O)O[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CCC(=O)OC1=CC=CC=C1.C[C+:20]=O.C[C+]=O

OrbPairId : 3800, Prediction : 0.000000
CCC(=O)O[C:11]1=[CH:10]C=CC=C1.CCC(=O)OC1=CC=CC=C1.C[C+:20]=O.C[C+]=O

OrbPairId : 3802, Prediction : 0.000000

Neg data

OPReactantPairId: 1904, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CC(=O)CC[CH:20]=[O:21].CC(=O)CCC=O

OrbPairId : 1930, Prediction : 0.000000

Neg data

OPReactantPairId: 3438, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)(CC)[N+](=O)[O-].CCC(C)[N+](=O)[O-].CC[O-:10].CC[O-]

OrbPairId : 4041, Prediction : 0.000000

Neg data

OPReactantPairId: 2627, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.C1CC2(CCC1[C:20](=[O:21])C3=CC=CC=C3)OCCO2.C1CC2(CCC1C(=O)C3=CC=CC=C3)OCCO2

OrbPairId : 2721, Prediction : 0.000000

Neg data

OPReactantPairId: 2201, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH2:21].C1=[C-:10]C(=CN=C1)N.C1=[C-]C(=CN=C1)N.N

OrbPairId : 2249, Prediction : 0.000000

Neg data

OPReactantPairId: 2877, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]([OH2+:21])(O)[OH:10].CC([OH2+])(O)O

OrbPairId : 3000, Prediction : 0.000000

Neg data

OPReactantPairId: 3373, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)C=C)C(C)C2=CC=CC=C2.CC(C1C=C[C+](C=C1)C=C)C2=CC=CC=C2.[F-:10].[F-]

OrbPairId : 3963, Prediction : 0.000000

Neg data

OPReactantPairId: 2710, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C)([O-:10])[Cl:21].CCNC(C)([O-])Cl

OrbPairId : 2812, Prediction : 0.000000

Neg data

OPReactantPairId: 2710, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C)([O-:10])[Cl:21].CCNC(C)([O-])Cl

OrbPairId : 3379, Prediction : 0.000000

Neg data

OPReactantPairId: 1534, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C=C.C[CH+]C=C.[Br-:10].[Br-]

OrbPairId : 1530, Prediction : 0.000000

Neg data

OPReactantPairId: 3048, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](C)(C)C(C)(C)CC.CCC(C)(C)[NH+](C)C.[I-:10].[I-]

OrbPairId : 3186, Prediction : 0.000000

Neg data

OPReactantPairId: 3379, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][F:21].[CH2:10]=[CH:11]CCCOC1=CC=CC=C1.C=CCCCOC1=CC=CC=C1.F

OrbPairId : 3971, Prediction : 0.000000

Neg data

OPReactantPairId: 3012, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10]CC.CCNCC.[CH3:20][I:21].CI

OrbPairId : 3146, Prediction : 0.000000

Neg data

OPReactantPairId: 2261, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]#[NH+:21].CC#[NH+].[OH2:10].O

OrbPairId : 3815, Prediction : 0.000000

Neg data

OPReactantPairId: 2261, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]#[NH+:21].CC#[NH+].[OH2:10].O

OrbPairId : 2318, Prediction : 0.000000

Neg data

OPReactantPairId: 3448, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1[C:22](=[O:23])CCCC1(C)O.CC[O-:10].CC[O-].CC1(CCCC(=O)C1)O

OrbPairId : 4052, Prediction : 0.000000

Neg data

OPReactantPairId: 1969, ReactionConditionsId: 8

NumPos: 3, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C:22](=[OH+:23])C.CCC(=[OH+])C.[OH2:10].O

OrbPairId : 2981, Prediction : 0.000000
[H:20][CH2:21][C:22](=[OH+:23])CC.CCC(=[OH+])C.[OH2:10].O

OrbPairId : 2984, Prediction : 0.000000
CC[C:20](=[OH+:21])C.CCC(=[OH+])C.[OH2:10].O

OrbPairId : 2986, Prediction : 0.000000

Neg data

OPReactantPairId: 1977, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]([NH3+:21])(O)[OH:10].CC([NH3+])(O)O

OrbPairId : 3821, Prediction : 0.000000

Neg data

OPReactantPairId: 3010, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CCC(CC)[O-:10].CCC(CC)[O-].O

OrbPairId : 3144, Prediction : 0.000000

Neg data

OPReactantPairId: 3171, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CCCCCC1CO1.C1C(O1)CCCCCO

OrbPairId : 3549, Prediction : 0.000000

Neg data

OPReactantPairId: 3268, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.[CH:11]1=[CH:10]C2=CC=CC(=C2C=C1)C(F)(F)F.C1=CC2=CC=CC(=C2C=C1)C(F)(F)F

OrbPairId : 3714, Prediction : 0.000000

Neg data

OPReactantPairId: 3633, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])CCCC(=O)C.CC(=O)CCCC(=O)C.[OH-:10].[OH-]

OrbPairId : 4253, Prediction : 0.000000

Neg data

OPReactantPairId: 2770, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH3:20][Br:21].CBr.[CH-:10](C#N)C#N.[CH-](C#N)C#N

OrbPairId : 3445, Prediction : 0.000000

Neg data

OPReactantPairId: 2770, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH3:20][Br:21].CBr.[CH-:10](C#N)C#N.[CH-](C#N)C#N

OrbPairId : 2878, Prediction : 0.000000

Neg data

OPReactantPairId: 3173, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][C:21](C)(C)[C:22](=[O:23])CC.CCC(=O)C(C)C

OrbPairId : 3551, Prediction : 0.000000

Neg data

OPReactantPairId: 1938, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:11]1=[CH:10]C2=C(C=CC=C2)C=C1.COC1=CC2=C(C=CC=C2)C=C1.[Br:20][Br:21].BrBr

OrbPairId : 3657, Prediction : 0.000000

Neg data

OPReactantPairId: 1938, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:11]1=[CH:10]C2=C(C=CC=C2)C=C1.COC1=CC2=C(C=CC=C2)C=C1.[Br:20][Br:21].BrBr

OrbPairId : 1966, Prediction : 0.000000

Neg data

OPReactantPairId: 1542, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C=C[CH2:20][OH2+:21].C=CC[OH2+]

OrbPairId : 1538, Prediction : 0.000000

Neg data

OPReactantPairId: 1676, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.C[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CC1=CC=CC=C1

OrbPairId : 3765, Prediction : 0.000000
C[CH+:20]C.C[CH+]C.C[C:11]1=[CH:10]C=CC=C1.CC1=CC=CC=C1

OrbPairId : 3766, Prediction : 0.000000

Neg data

OPReactantPairId: 2181, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)[N+](=O)[O-].C(C#N)[N+](=O)[O-].[NH2-:10].[NH2-]

OrbPairId : 2226, Prediction : 0.000000

Neg data

OPReactantPairId: 2865, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])OC.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CC(=O)OC

OrbPairId : 2988, Prediction : 0.000000

Neg data

OPReactantPairId: 2772, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH3:20][Br:21].CBr.[CH2:10]=[CH:11][O-:12].C=C[O-]

OrbPairId : 2880, Prediction : 0.000000

Neg data

OPReactantPairId: 2772, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH3:20][Br:21].CBr.[CH2:10]=[CH:11][O-:12].C=C[O-]

OrbPairId : 3242, Prediction : 0.000000

Neg data

OPReactantPairId: 2936, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CCC[O-:10].CCC[O-].O

OrbPairId : 3068, Prediction : 0.000000

Neg data

OPReactantPairId: 1799, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CCO[C:20](=[O:21])CCC(=O)NC.CCOC(=O)CCC(=O)NC

OrbPairId : 1817, Prediction : 0.000000

Neg data

OPReactantPairId: 2724, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li]C=[CH:10][Li:11].[Li]C=C[Li].C1[CH2:20][O:21]1.C1CO1

OrbPairId : 2828, Prediction : 0.000000

Neg data

OPReactantPairId: 2912, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](=[C:22](C)[Br:23])C.CC=C(C)Br.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3037, Prediction : 0.000000

Neg data

OPReactantPairId: 3359, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C(CC1=CC=CC=C1)(C(=O)OCC)NC(=O)C)O.CCOC(=O)C(CC1=CC=CC=C1)(C(=[OH+])O)NC(=O)C.[OH2:10].O

OrbPairId : 3947, Prediction : 0.000000

Neg data

OPReactantPairId: 3793, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C.CC[NH+](CC)C(C)(C)[O-:10].CC[NH+](CC)C(C)(C)[O-].CO

OrbPairId : 4434, Prediction : 0.000000

Neg data

OPReactantPairId: 2805, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CN(C)[C:11](=[CH2:10])[O-:12].CN(C)C(=C)[O-].C1[CH2:20][O:21]1.C1CO1

OrbPairId : 2914, Prediction : 0.000000

Neg data

OPReactantPairId: 2805, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CN(C)[C:11](=[CH2:10])[O-:12].CN(C)C(=C)[O-].C1[CH2:20][O:21]1.C1CO1

OrbPairId : 3305, Prediction : 0.000000

Neg data

OPReactantPairId: 1746, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1[CH:20]([Br+:21]1)C2=CC=CC=C2.C1C([Br+]1)C2=CC=CC=C2.[Br-:10].[Br-]

OrbPairId : 1759, Prediction : 0.000000

Neg data

OPReactantPairId: 2982, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1[C:20]([Br+:21]1)(C)C.CC1C([Br+]1)(C)C.[OH2:10].O

OrbPairId : 3115, Prediction : 0.000000

Neg data

OPReactantPairId: 3161, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CCCCC(=O)OC(=O)C.CC(=O)OC(=O)CCCCO

OrbPairId : 3533, Prediction : 0.000000

Neg data

OPReactantPairId: 3026, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)C(C)([O-])OC(=NC1CCCCC1)NC2CCCCC2.CC[NH2+]C(C)([O-])OC(=NC1CCCCC1)NC2CCCCC2.C1CCC(CC1)NC(=O)[N-:10]C2CCCCC2.C1CCC(CC1)NC(=O)[N-]C2CCCCC2

OrbPairId : 3162, Prediction : 0.000000

Neg data

OPReactantPairId: 2778, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[CH2:22][Br:23].CCCBr.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 2886, Prediction : 0.000000

Neg data

OPReactantPairId: 1797, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](C)(O)[OH:10].CC[OH+]C(C)(O)O

OrbPairId : 1815, Prediction : 0.000000

Neg data

OPReactantPairId: 1797, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](C)(O)[OH:10].CC[OH+]C(C)(O)O

OrbPairId : 3774, Prediction : 0.000000

Neg data

OPReactantPairId: 1887, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[CH:11]1=[CH:10]C2=CC=C(C=C2C=C1)C#N.C1=CC2=CC=C(C=C2C=C1)C#N.[Br:20][Br:21].BrBr

OrbPairId : 1913, Prediction : 0.000000
C1=CC2=CC=C(C=C2[CH:10]=[CH:11]1)C#N.C1=CC2=CC=C(C=C2C=C1)C#N.[Br:20][Br:21].BrBr

OrbPairId : 1914, Prediction : 0.000000

Neg data

OPReactantPairId: 2702, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21](CC(=O)N(C)C)([C:22](=[O:23])CCC(=O)N(C)C)C(=O)OC.CN(C)C(=O)CCC(=O)C(CC(=O)N(C)C)C(=O)OC.C[O-:10].C[O-]

OrbPairId : 2802, Prediction : 0.000000
[H:20][C:21](CC(=O)N(C)C)(C(=O)CCC(=O)N(C)C)[C:22](=[O:23])OC.CN(C)C(=O)CCC(=O)C(CC(=O)N(C)C)C(=O)OC.C[O-:10].C[O-]

OrbPairId : 2803, Prediction : 0.000000

Neg data

OPReactantPairId: 2702, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21](CC(=O)N(C)C)([C:22](=[O:23])CCC(=O)N(C)C)C(=O)OC.CN(C)C(=O)CCC(=O)C(CC(=O)N(C)C)C(=O)OC.C[O-:10].C[O-]

OrbPairId : 3367, Prediction : 0.000000
[H:20][C:21](CC(=O)N(C)C)(C(=O)CCC(=O)N(C)C)[C:22](=[O:23])OC.CN(C)C(=O)CCC(=O)C(CC(=O)N(C)C)C(=O)OC.C[O-:10].C[O-]

OrbPairId : 3368, Prediction : 0.000000

Neg data

OPReactantPairId: 3282, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C)C(C)C(O)(O)OCC.CCOC(C(C)C(=[OH+])C)(O)O.[OH2:10].O

OrbPairId : 3780, Prediction : 0.000000

Neg data

OPReactantPairId: 3167, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:20]([C:21]#N)[O-:10].C(C#N)[O-]

OrbPairId : 4043, Prediction : 0.000000

Neg data

OPReactantPairId: 2803, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC=C[CH2:20][Br:21].CC=CCBr.[C-:10]#N.[C-]#N

OrbPairId : 2912, Prediction : 0.000000

Neg data

OPReactantPairId: 2332, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH3:20][Br:21].CBr.[CH2-:10]C1=NC=CC=C1.[CH2-]C1=NC=CC=C1

OrbPairId : 2395, Prediction : 0.000000

Neg data

OPReactantPairId: 2257, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCNC(C)[O-:10].CCNC(C)[O-].[OH3+]

OrbPairId : 2312, Prediction : 0.000000

Neg data

OPReactantPairId: 1795, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCCC[OH:10].CCCCO.CO[C:22](=[OH+:23])[CH:21]=[CH2:20].COC(=[OH+])C=C

OrbPairId : 1813, Prediction : 0.000000

Neg data

OPReactantPairId: 2265, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)C(CCC(=O)OC(=O)C)([O-])Cl.CC(=O)OC(=O)CCC([NH2+]C)([O-])Cl.[OH2:10].O

OrbPairId : 2322, Prediction : 0.000000

Neg data

OPReactantPairId: 3165, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)Cl.C1=CC=C(C=C1)CC(=O)CC(=O)Cl

OrbPairId : 3540, Prediction : 0.000000
[H-].[H-:10].[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])Cl.C1=CC=C(C=C1)CC(=O)CC(=O)Cl

OrbPairId : 3541, Prediction : 0.000000

Neg data

OPReactantPairId: 2801, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:22](=[O:23])[CH:21]=[CH2:20].COC(=O)C=C.[C-:10]#N.[C-]#N

OrbPairId : 2910, Prediction : 0.000000

Neg data

OPReactantPairId: 2801, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:22](=[O:23])[CH:21]=[CH2:20].COC(=O)C=C.[C-:10]#N.[C-]#N

OrbPairId : 3436, Prediction : 0.000000

Neg data

OPReactantPairId: 2587, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)C(CCC=O)([O-])OC(=O)C.CC(=O)OC(CCC=O)([NH2+]C)[O-].[OH2:10].O

OrbPairId : 2680, Prediction : 0.000000

Neg data

OPReactantPairId: 2193, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(=O)CC(C)(C)[O-:10].CC(=O)CC(C)(C)[O-].[OH3+]

OrbPairId : 2236, Prediction : 0.000000

Neg data

OPReactantPairId: 2934, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(C)C(C1=CC=CC=C1)Br.CC(C)(C(C1=CC=CC=C1)Br)[OH2+].[OH2:10].O

OrbPairId : 3067, Prediction : 0.000000

Neg data

OPReactantPairId: 2706, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C([CH:10]=[CH:11][O-:12])C#N.C(C=C[O-])C#N.[OH3+]

OrbPairId : 2807, Prediction : 0.000000

Neg data

OPReactantPairId: 2263, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)N(C)C)CC1=CC=CC=C1.CC[O-:10].CC[O-].CN(C)C(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 2320, Prediction : 0.000000

Neg data

OPReactantPairId: 1564, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1CC[C:20](CC1)([N:10]2CCCCC2)[OH2+:21].C1CCC(CC1)(N2CCCCC2)[OH2+]

OrbPairId : 1560, Prediction : 0.000000

Neg data

OPReactantPairId: 2966, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[N:10](C)C.CN(C)C.[CH3:20][I:21].CI

OrbPairId : 3098, Prediction : 0.000000

Neg data

OPReactantPairId: 2938, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])N(C)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CC(=O)N(C)C

OrbPairId : 3070, Prediction : 0.000000

Neg data

OPReactantPairId: 3175, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]C(C)CCC(C)C(C)Br.CC(CCC(C)O)C(C)Br

OrbPairId : 3554, Prediction : 0.000000

Neg data

OPReactantPairId: 2743, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC1=C[CH:10]=[C:11](C=C1)N.CC1=CC=C(C=C1)N.C1=CC=C(C=C1)[N+:21]#[N:20].C1=CC=C(C=C1)[N+]#N

OrbPairId : 2849, Prediction : 0.000000

Neg data

OPReactantPairId: 2035, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CC)OC.CCC([OH2+])OC.[OH2:10].O

OrbPairId : 2069, Prediction : 0.000000

Neg data

OPReactantPairId: 2219, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(C)C(=O)C(C1=CC=CC=C1)C(CC2=CC=CC=C2)(C(C)C)[O-:10].CC(C)C(=O)C(C1=CC=CC=C1)C(CC2=CC=CC=C2)(C(C)C)[O-].[OH3+]

OrbPairId : 2269, Prediction : 0.000000

Neg data

OPReactantPairId: 1880, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](=[O:21])C.CCC(=O)C.C1CC[NH:10]C1.C1CCNC1

OrbPairId : 1905, Prediction : 0.000000

Neg data

OPReactantPairId: 1830, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]([NH2+:21]CC)[N:10](C)C.CCC([NH2+]CC)N(C)C

OrbPairId : 1849, Prediction : 0.000000

Neg data

OPReactantPairId: 2346, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C(C[CH:20]=[O:21])C[O-:10].C(CC=O)C[O-]

OrbPairId : 2410, Prediction : 0.000000

Neg data

OPReactantPairId: 2346, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C(C[CH:20]=[O:21])C[O-:10].C(CC=O)C[O-]

OrbPairId : 3376, Prediction : 0.000000

Neg data

OPReactantPairId: 1785, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:22]=[CH:23][C+:24](C(=C1)Br)N(C)C)Br.CN(C)[C+]1C=CC(C=C1Br)Br.[Br-:10].[Br-]

OrbPairId : 1802, Prediction : 0.000000

Neg data

OPReactantPairId: 2968, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)CC1=CC=CC=C1.C[NH2+]CC1=CC=CC=C1.[I-:10].[I-]

OrbPairId : 3100, Prediction : 0.000000

Neg data

OPReactantPairId: 2318, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCC[NH+:21]1C(=O)C2=C([C:20]1(O)[OH:10])C=CC=C2.CCC[NH+]1C(=O)C2=C(C1(O)O)C=CC=C2

OrbPairId : 3807, Prediction : 0.000000

Neg data

OPReactantPairId: 2318, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC[NH+:21]1C(=O)C2=C([C:20]1(O)[OH:10])C=CC=C2.CCC[NH+]1C(=O)C2=C(C1(O)O)C=CC=C2

OrbPairId : 2378, Prediction : 0.000000

Neg data

OPReactantPairId: 3357, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCOC(=O)C(CC1=CC=CC=C1)(C(O)(O)[O:10]CC)NC(=O)C.CCOC(=O)C(CC1=CC=CC=C1)(C(O)(O)OCC)NC(=O)C.[OH3+]

OrbPairId : 3945, Prediction : 0.000000

Neg data

OPReactantPairId: 3791, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C.CO.C(C=CC[O-:10])O.C(C=CC[O-])O

OrbPairId : 4432, Prediction : 0.000000

Neg data

OPReactantPairId: 2039, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]1C[OH+:21]1.CC1C[OH+]1.[OH2:10].O

OrbPairId : 2073, Prediction : 0.000000

Neg data

OPReactantPairId: 2908, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])CC1=CC=CC=C1.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CC(=O)CC1=CC=CC=C1

OrbPairId : 3033, Prediction : 0.000000

Neg data

OPReactantPairId: 1744, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([C:5]2=[C:6](C=CC=C2)C=C[C+:22]1Br)Br.C1=CC2=C(C=C1)C([C+](C=C2)Br)Br.[Br-:10].[Br-]

OrbPairId : 1757, Prediction : 0.000000

Neg data

OPReactantPairId: 2984, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C1(CCC(C1Br)CC)C.CCC1CCC(C1Br)(C)[OH2+].[OH2:10].O

OrbPairId : 3116, Prediction : 0.000000

Neg data

OPReactantPairId: 2904, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)(C)[C:22](=[O:23])C(C)(C)Br.CC(C)C(=O)C(C)(C)Br.[OH-:10].[OH-]

OrbPairId : 3029, Prediction : 0.000000

Neg data

OPReactantPairId: 3430, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:21][C:20](C)(C[N+](=O)[O-])[O-:10].CCOC(C)(C[N+](=O)[O-])[O-]

OrbPairId : 4033, Prediction : 0.000000

Neg data

OPReactantPairId: 2209, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(=[O:10])C=C.CC(=O)C=C.[OH3+]

OrbPairId : 2259, Prediction : 0.000000

Neg data

OPReactantPairId: 1748, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11]1=[CH:10]C2=C(C=CC=C2)C=C1.CC1=CC2=C(C=CC=C2)C=C1.[Br:20][Br:21].BrBr

OrbPairId : 1761, Prediction : 0.000000

Neg data

OPReactantPairId: 1748, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11]1=[CH:10]C2=C(C=CC=C2)C=C1.CC1=CC2=C(C=CC=C2)C=C1.[Br:20][Br:21].BrBr

OrbPairId : 3666, Prediction : 0.000000

Neg data

OPReactantPairId: 2326, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC[NH2+:21][C:20](C1=C(C=CC=C1)C(=O)O)(O)[OH:10].CCC[NH2+]C(C1=C(C=CC=C1)C(=O)O)(O)O

OrbPairId : 2386, Prediction : 0.000000

Neg data

OPReactantPairId: 3428, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][N+](=O)[O-].CC[O-:10].CC[O-].C[N+](=O)[O-]

OrbPairId : 4029, Prediction : 0.000000

Neg data

OPReactantPairId: 2326, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCC[NH2+:21][C:20](C1=C(C=CC=C1)C(=O)O)(O)[OH:10].CCC[NH2+]C(C1=C(C=CC=C1)C(=O)O)(O)O

OrbPairId : 3812, Prediction : 0.000000

Neg data

OPReactantPairId: 2755, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])C1=C(C=CC=C1)F.CC(=O)C1=C(C=CC=C1)F.[CH2:10]=[C:11](C1=C(C=CC=C1)F)[O-:12].C=C(C1=C(C=CC=C1)F)[O-]

OrbPairId : 2862, Prediction : 0.000000

Neg data

OPReactantPairId: 2027, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC=[N:10]C.CC=NC.[OH3+]

OrbPairId : 3874, Prediction : 0.000000

Neg data

OPReactantPairId: 2027, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC=[N:10]C.CC=NC.[OH3+]

OrbPairId : 2060, Prediction : 0.000000

Neg data

OPReactantPairId: 3432, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](CCCC(=O)OCC)[C:22](=[O:23])OCC.CC[O-:10].CC[O-].CCOC(=O)CCCCC(=O)OCC

OrbPairId : 4036, Prediction : 0.000000

Neg data

OPReactantPairId: 2324, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC[NH:10]C(C1=C(C=CC=C1)C(=O)O)(O)O.CCCNC(C1=C(C=CC=C1)C(=O)O)(O)O.[OH3+]

OrbPairId : 3811, Prediction : 0.000000

Neg data

OPReactantPairId: 2324, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC[NH:10]C(C1=C(C=CC=C1)C(=O)O)(O)O.CCCNC(C1=C(C=CC=C1)C(=O)O)(O)O.[OH3+]

OrbPairId : 2384, Prediction : 0.000000

Neg data

OPReactantPairId: 1804, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC1CCCC[C:20]1=[O:21].CC1CCCCC1=O.C1CC[NH:10]C1.C1CCNC1

OrbPairId : 2537, Prediction : 0.000000

Neg data

OPReactantPairId: 2264, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(=N)C.CC(=N)[OH2+].[OH2:10].O

OrbPairId : 2321, Prediction : 0.000000

Neg data

OPReactantPairId: 3781, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C.CC(CCC(=O)O)[O-:10].CC(CCC(=O)O)[O-].CO

OrbPairId : 4419, Prediction : 0.000000

Neg data

OPReactantPairId: 2708, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])N(C)C.CC[O-:10].CC[O-].CC(=O)N(C)C

OrbPairId : 3369, Prediction : 0.000000

Neg data

OPReactantPairId: 1858, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C)([OH:10])[OH+:21]C.CCOC(C)(O)[OH+]C

OrbPairId : 1880, Prediction : 0.000000

Neg data

OPReactantPairId: 2708, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])N(C)C.CC[O-:10].CC[O-].CC(=O)N(C)C

OrbPairId : 2809, Prediction : 0.000000

Neg data

OPReactantPairId: 3369, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][F:21].[CH2:10]=[CH:11]CCOC1=CC=CC=C1.C=CCCOC1=CC=CC=C1.F

OrbPairId : 3957, Prediction : 0.000000

Neg data

OPReactantPairId: 2322, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C1=C(C=CC=C1)C(=O)O)(NCCC)O.CCCNC(C1=C(C=CC=C1)C(=O)O)([OH2+])O.[OH2:10].O

OrbPairId : 2382, Prediction : 0.000000

Neg data

OPReactantPairId: 2322, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C1=C(C=CC=C1)C(=O)O)(NCCC)O.CCCNC(C1=C(C=CC=C1)C(=O)O)([OH2+])O.[OH2:10].O

OrbPairId : 3810, Prediction : 0.000000

Neg data

OPReactantPairId: 2029, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)NC.CC(NC)[OH2+].[OH2:10].O

OrbPairId : 2062, Prediction : 0.000000

Neg data

OPReactantPairId: 2029, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)NC.CC(NC)[OH2+].[OH2:10].O

OrbPairId : 3876, Prediction : 0.000000

Neg data

OPReactantPairId: 3037, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCC(C)(C)[NH2:10].CCC(C)(C)N.[CH3:20][I:21].CI

OrbPairId : 3173, Prediction : 0.000000

Neg data

OPReactantPairId: 3055, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH:22](C)[N+:23](C)(C)C.CC(C)[N+](C)(C)C.[OH-:10].[OH-]

OrbPairId : 3195, Prediction : 0.000000

Neg data

OPReactantPairId: 3444, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])CCCC(=O)C.CC[O-:10].CC[O-].CC(=O)CCCC(=O)C

OrbPairId : 4048, Prediction : 0.000000

Neg data

OPReactantPairId: 1828, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C([CH:20]=[OH+:21])O.C(C=[OH+])O.C(C=O)[OH:10].C(C=O)O

OrbPairId : 1848, Prediction : 0.000000

Neg data

OPReactantPairId: 2451, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1=CC=C(C=C1)C(=O)[O-:10].C1=CC=C(C=C1)C(=O)[O-].[OH3+]

OrbPairId : 2527, Prediction : 0.000000

Neg data

OPReactantPairId: 1641, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CN[C:20](=[OH+:21])CC#N.CNC(=[OH+])CC#N

OrbPairId : 1642, Prediction : 0.000000

Neg data

OPReactantPairId: 3446, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])CCC(=O)C.CC[O-:10].CC[O-].CC(=O)CCC(=O)C

OrbPairId : 4051, Prediction : 0.000000

Neg data

OPReactantPairId: 2453, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C1=CC=CC=C1)([O-:10])[O:21]C(=O)C=C(CC2=CC=CC=C2)O.CCOC(C1=CC=CC=C1)([O-])OC(=O)C=C(CC2=CC=CC=C2)O

OrbPairId : 2529, Prediction : 0.000000

Neg data

OPReactantPairId: 2453, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C1=CC=CC=C1)([O-:10])[O:21]C(=O)C=C(CC2=CC=CC=C2)O.CCOC(C1=CC=CC=C1)([O-])OC(=O)C=C(CC2=CC=CC=C2)O

OrbPairId : 3227, Prediction : 0.000000

Neg data

OPReactantPairId: 2259, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[C:1]#[N:10].CC#N.[OH3+]

OrbPairId : 3814, Prediction : 0.000000

Neg data

OPReactantPairId: 2433, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(CC(=O)C1=C(C=CC=C1)Cl)(C2=C(C=CC=C2)Cl)[O-:10].CC(CC(=O)C1=C(C=CC=C1)Cl)(C2=C(C=CC=C2)Cl)[O-].[OH3+]

OrbPairId : 2507, Prediction : 0.000000

Neg data

OPReactantPairId: 1643, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](CC#N)(NC)[OH:10].CC[OH+]C(CC#N)(NC)O

OrbPairId : 1644, Prediction : 0.000000

Neg data

OPReactantPairId: 1645, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CCN(CC)[C:20](=[OH+:21])C.CCN(CC)C(=[OH+])C

OrbPairId : 1646, Prediction : 0.000000

Neg data

OPReactantPairId: 2906, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)OCC)[C:22](=[O:23])OCC.CCOC(=O)CC(=O)OCC.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3031, Prediction : 0.000000

Neg data

OPReactantPairId: 1752, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)N.C1=CC=C(C=C1)N.[Br:20][Br:21].BrBr

OrbPairId : 1765, Prediction : 0.000000
C1=C[CH:10]=[C:11](C=C1)N.C1=CC=C(C=C1)N.[Br:20][Br:21].BrBr

OrbPairId : 1766, Prediction : 0.000000

Neg data

OPReactantPairId: 2431, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])C1=C(C=CC=C1)Cl.CC(=O)C1=C(C=CC=C1)Cl.[CH2:10]=[C:11](C1=C(C=CC=C1)Cl)[O-:12].C=C(C1=C(C=CC=C1)Cl)[O-]

OrbPairId : 2505, Prediction : 0.000000

Neg data

OPReactantPairId: 2441, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:21][C:20](CCC(=O)N(C)C)(NC)[O-:10].CCOC(CCC(=O)N(C)C)(NC)[O-]

OrbPairId : 2516, Prediction : 0.000000

Neg data

OPReactantPairId: 3696, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH:21]C(=O)C=C.C=CC(=O)N.[OH-:10].[OH-]

OrbPairId : 4327, Prediction : 0.000000

Neg data

OPReactantPairId: 3046, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[NH:10]C.CC(C)NC.[CH3:20][I:21].CI

OrbPairId : 3183, Prediction : 0.000000

Neg data

OPReactantPairId: 1665, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]CC1=CC=CC=C1.C[CH+]CC1=CC=CC=C1.C=CC[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.C=CCC1=CC=CC=C1

OrbPairId : 1670, Prediction : 0.000000
C[CH+:20]CC1=CC=CC=C1.C[CH+]CC1=CC=CC=C1.C=CC[C:11]1=[CH:10]C=CC=C1.C=CCC1=CC=CC=C1

OrbPairId : 1671, Prediction : 0.000000

Neg data

OPReactantPairId: 3343, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCOC(=O)C(C(O)(O)[O:10]CC)NC(=O)C.CCOC(=O)C(C(O)(O)OCC)NC(=O)C.[OH3+]

OrbPairId : 3930, Prediction : 0.000000

Neg data

OPReactantPairId: 2211, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C1=CC=CC=C1)[C:22](=[O:23])C(C)C.CC[O-:10].CC[O-].CC(C)C(=O)CC1=CC=CC=C1

OrbPairId : 3437, Prediction : 0.000000

Neg data

OPReactantPairId: 2427, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C)([O-:10])[O:21]C(=O)C.CCOC(C)([O-])OC(=O)C

OrbPairId : 2501, Prediction : 0.000000

Neg data

OPReactantPairId: 2427, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C)([O-:10])[O:21]C(=O)C.CCOC(C)([O-])OC(=O)C

OrbPairId : 3245, Prediction : 0.000000

Neg data

OPReactantPairId: 3341, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C(C(=O)OCC)NC(=O)C)OCC.CCOC(=[OH+])C(C(=O)OCC)NC(=O)C.[OH2:10].O

OrbPairId : 3927, Prediction : 0.000000
CCO[C:20](=[OH+:21])C(C(=O)OCC)NC(=O)C.CCOC(=[OH+])C(C(=O)OCC)NC(=O)C.[OH2:10].O

OrbPairId : 3928, Prediction : 0.000000

Neg data

OPReactantPairId: 3040, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC=CC1CCCC(C1[NH:10]C)C.CC=CC1CCCC(C1NC)C.[CH3:20][I:21].CI

OrbPairId : 3176, Prediction : 0.000000

Neg data

OPReactantPairId: 2884, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:11](=[C:10](CCC[CH2:20][Br:21])C(=O)OCC)[O-:12].CCOC(=C(CCCCBr)C(=O)OCC)[O-]

OrbPairId : 3007, Prediction : 0.000000

Neg data

OPReactantPairId: 3042, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)C(C)C.CC(C)[NH2+]C.[I-:10].[I-]

OrbPairId : 3179, Prediction : 0.000000

Neg data

OPReactantPairId: 2421, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][O:10][C:20](CC#N)(C1=CC=CC=C1)[N:21](C)C.[Li]OC(CC#N)(C1=CC=CC=C1)N(C)C

OrbPairId : 2496, Prediction : 0.000000

Neg data

OPReactantPairId: 2884, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:11](=[C:10](CCC[CH2:20][Br:21])C(=O)OCC)[O-:12].CCOC(=C(CCCCBr)C(=O)OCC)[O-]

OrbPairId : 4082, Prediction : 0.000000

Neg data

OPReactantPairId: 2353, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](=C(C)C)CC.CC[NH+]=C(C)C.[OH2:10].O

OrbPairId : 2420, Prediction : 0.000000

Neg data

OPReactantPairId: 2882, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](CCCCBr)(C(=O)OCC)[C:22](=[O:23])OCC.CCOC(=O)C(CCCCBr)C(=O)OCC.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3005, Prediction : 0.000000

Neg data

OPReactantPairId: 3442, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C(C)(C)O)[N+](=O)[O-].CC[O-:10].CC[O-].CC(C)(C[N+](=O)[O-])O

OrbPairId : 4046, Prediction : 0.000000

Neg data

OPReactantPairId: 2423, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](=CCC(=O)C)C.CC(=O)CC=[NH+]C.[OH2:10].O

OrbPairId : 2497, Prediction : 0.000000

Neg data

OPReactantPairId: 2316, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C1(C2=C(C=CC=C2)C(=O)N1CCC)O.CCCN1C(=O)C2=C(C1([OH2+])O)C=CC=C2.[OH2:10].O

OrbPairId : 2376, Prediction : 0.000000

Neg data

OPReactantPairId: 2316, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C1(C2=C(C=CC=C2)C(=O)N1CCC)O.CCCN1C(=O)C2=C(C1([OH2+])O)C=CC=C2.[OH2:10].O

OrbPairId : 3805, Prediction : 0.000000

Neg data

OPReactantPairId: 2150, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)CC(=O)C=[C:20]([O-:10])[Cl:21].C1=CC=C(C=C1)CC(=O)C=C([O-])Cl

OrbPairId : 3045, Prediction : 0.000000

Neg data

OPReactantPairId: 2402, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)C(CC[O-:10])[C:20](=[O:21])OC.CC(=O)C(CC[O-])C(=O)OC

OrbPairId : 3394, Prediction : 0.000000

Neg data

OPReactantPairId: 1677, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[C:20](C)([OH:10])[Cl:21].CC(=O)OC(C)(O)Cl

OrbPairId : 1683, Prediction : 0.000000

Neg data

OPReactantPairId: 2402, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)C(CC[O-:10])[C:20](=[O:21])OC.CC(=O)C(CC[O-])C(=O)OC

OrbPairId : 2474, Prediction : 0.000000

Neg data

OPReactantPairId: 2170, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:21][C:20]1(C=CC(=C[N-:10]1)C)N.CC1=C[N-]C(C=C1)N

OrbPairId : 2215, Prediction : 0.000000

Neg data

OPReactantPairId: 2429, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])C1=C(C=CC=C1)Cl.CC[O-:10].CC[O-].CC(=O)C1=C(C=CC=C1)Cl

OrbPairId : 2503, Prediction : 0.000000

Neg data

OPReactantPairId: 2314, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=CO.C(=[OH+])O.[OH2:10].O

OrbPairId : 3762, Prediction : 0.000000

Neg data

OPReactantPairId: 2314, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=CO.C(=[OH+])O.[OH2:10].O

OrbPairId : 2374, Prediction : 0.000000

Neg data

OPReactantPairId: 2400, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[Li:11][O:10]C(CCC(=O)OCC)(C1=CC=CC=C1)C2=CC=CC=C2.[Li]OC(CCC(=O)OCC)(C1=CC=CC=C1)C2=CC=CC=C2.[OH3+]

OrbPairId : 2472, Prediction : 0.000000

Neg data

OPReactantPairId: 2152, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[CH:11]=[CH2:10].CC=C.[OH3+]

OrbPairId : 2195, Prediction : 0.000000

Neg data

OPReactantPairId: 2154, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)C.CC(C)[OH2+].[OH2:10].O

OrbPairId : 2197, Prediction : 0.000000

Neg data

OPReactantPairId: 2406, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=C[C:21](=[C:20](C=C1)Cl)[N+](=O)[O-].C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

OrbPairId : 2479, Prediction : 0.000000

Neg data

OPReactantPairId: 3694, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C(C1=CC=CC=C1)O)[C:22](=[O:23])C.CC(=O)CC(C1=CC=CC=C1)O.[OH-:10].[OH-]

OrbPairId : 4325, Prediction : 0.000000

Neg data

OPReactantPairId: 3345, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C(C(=O)OCC)NC(=O)C)O.CCOC(=O)C(C(=[OH+])O)NC(=O)C.[OH2:10].O

OrbPairId : 3932, Prediction : 0.000000

Neg data

OPReactantPairId: 2372, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:21][C:20](C)([O-:10])OCC.CCOC(C)([O-])OCC

OrbPairId : 2441, Prediction : 0.000000

Neg data

OPReactantPairId: 1955, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC(=O)N[C:11]1=[CH:10]C=C(C=C1)Br.CCC(=O)NC1=CC=C(C=C1)Br.[Br:20][Br:21].BrBr

OrbPairId : 1983, Prediction : 0.000000

Neg data

OPReactantPairId: 1955, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCC(=O)N[C:11]1=[CH:10]C=C(C=C1)Br.CCC(=O)NC1=CC=C(C=C1)Br.[Br:20][Br:21].BrBr

OrbPairId : 3629, Prediction : 0.000000

Neg data

OPReactantPairId: 2118, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C1=CC=CC=C1)C(C)C.CC(C)C(C1=CC=CC=C1)[OH2+].[OH2:10].O

OrbPairId : 2156, Prediction : 0.000000

Neg data

OPReactantPairId: 1734, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1OCC)Br.CCO[C+]1C=CC=CC1Br.[Br-:10].[Br-]

OrbPairId : 1747, Prediction : 0.000000

Neg data

OPReactantPairId: 1850, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
COC(=O)C1CC[C:20](CC1)([OH2+:21])[O:10]CCO.COC(=O)C1CCC(CC1)([OH2+])OCCO

OrbPairId : 1871, Prediction : 0.000000

Neg data

OPReactantPairId: 2144, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])C)C(=O)CC1=CC=CC=C1.CC(=O)CC(=O)CC1=CC=CC=C1.[NH2-:10].[NH2-]

OrbPairId : 2184, Prediction : 0.000000
[H:20][CH:21](C(=O)C)[C:22](=[O:23])CC1=CC=CC=C1.CC(=O)CC(=O)CC1=CC=CC=C1.[NH2-:10].[NH2-]

OrbPairId : 2185, Prediction : 0.000000

Neg data

OPReactantPairId: 2412, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[CH:22](C)[Br:23].CCC(C)Br.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 2484, Prediction : 0.000000

Neg data

OPReactantPairId: 1761, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1[CH:20]([OH+:21]1)CCCC[OH:10].CC1C([OH+]1)CCCCO

OrbPairId : 1777, Prediction : 0.000000

Neg data

OPReactantPairId: 2328, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C(=O)CC[C:22]1=[O:23])C.CC1C(=O)CCC1=O.[NH2-:10].[NH2-]

OrbPairId : 2388, Prediction : 0.000000

Neg data

OPReactantPairId: 1852, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CNC(=O)CC[C:20](=[OH+:21])OC.CNC(=O)CCC(=[OH+])OC

OrbPairId : 1873, Prediction : 0.000000

Neg data

OPReactantPairId: 1739, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:13]1=[C:12]2C=CC=C[C:11]2=[CH:10]C=C1.CC1=C2C=CC=CC2=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 3641, Prediction : 0.000000

Neg data

OPReactantPairId: 1669, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[C+:20](C)Br.C[C+](C)Br

OrbPairId : 1676, Prediction : 0.000000

Neg data

OPReactantPairId: 2045, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:20]=[CH:21][CH:22]=[OH+:23].C=CC=[OH+].[OH2:10].O

OrbPairId : 2079, Prediction : 0.000000

Neg data

OPReactantPairId: 1673, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])CCC[C:11](=[CH2:10])[OH:12].CC(=[OH+])CCCC(=C)O

OrbPairId : 1680, Prediction : 0.000000

Neg data

OPReactantPairId: 2503, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.CO[C:22](=[O:23])[CH:21]=[CH2:20].COC(=O)C=C

OrbPairId : 2587, Prediction : 0.000000

Neg data

OPReactantPairId: 1675, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[O:10])[OH:12].CC(=O)O.C[C:20](=[OH+:21])Cl.CC(=[OH+])Cl

OrbPairId : 1682, Prediction : 0.000000

Neg data

OPReactantPairId: 1679, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CC=[C+:20]C.CC=[C+]C

OrbPairId : 1688, Prediction : 0.000000

Neg data

OPReactantPairId: 3717, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)OC)CC1=CC=CC=C1.COC(=O)C=C(CC1=CC=CC=C1)O.[OH-:10].[OH-]

OrbPairId : 4349, Prediction : 0.000000

Neg data

OPReactantPairId: 3140, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]C(=O)OC(=O)C.CC(=O)OC(=O)O

OrbPairId : 3507, Prediction : 0.000000

Neg data

OPReactantPairId: 1824, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[OH+:21][C:20](C1=CC=CC=C1)(N)[OH:10].C[OH+]C(C1=CC=CC=C1)(N)O

OrbPairId : 1843, Prediction : 0.000000

Neg data

OPReactantPairId: 1659, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)C.CC[NH2:10].CCN.CC(=O)O

OrbPairId : 2727, Prediction : 0.000000

Neg data

OPReactantPairId: 3719, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](CCC1=CC(=CC=C1)OC)[C:22](=[O:23])CCC2(C(=O)CCC2=O)C.CC1(C(=O)CCC1=O)CCC(=O)CCCC2=CC(=CC=C2)OC.[OH-:10].[OH-]

OrbPairId : 4351, Prediction : 0.000000

Neg data

OPReactantPairId: 1659, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)C.CC[NH2:10].CCN.CC(=O)O

OrbPairId : 1664, Prediction : 0.000000

Neg data

OPReactantPairId: 3540, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[CH:20]=[O:21].CCOC=O.C1CC[C:11](=[CH:10]C1)[O-:12].C1CCC(=CC1)[O-]

OrbPairId : 4149, Prediction : 0.000000

Neg data

OPReactantPairId: 1826, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[CH:20]=[OH+:21].CC=[OH+]

OrbPairId : 1845, Prediction : 0.000000

Neg data

OPReactantPairId: 1951, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C)([OH:10])[OH+:21]CCO.CC(C)(O)[OH+]CCO

OrbPairId : 1978, Prediction : 0.000000

Neg data

OPReactantPairId: 1951, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C)([OH:10])[OH+:21]CCO.CC(C)(O)[OH+]CCO

OrbPairId : 3736, Prediction : 0.000000

Neg data

OPReactantPairId: 3542, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCCCC1=O)[CH:22]=[O:23].CC[O-:10].CC[O-].C1CCC(=O)C(C1)C=O

OrbPairId : 4151, Prediction : 0.000000

Neg data

OPReactantPairId: 3544, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[O:21].CC=O.[CH2-:10][N+](=O)[O-].[CH2-][N+](=O)[O-]

OrbPairId : 4153, Prediction : 0.000000

Neg data

OPReactantPairId: 1888, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)[C:20](C)([OH:10])[Cl:21].CCN(CC)C(C)(O)Cl

OrbPairId : 1912, Prediction : 0.000000

Neg data

OPReactantPairId: 1657, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)C=C.CC[NH2:10].CCN.C=CC(=O)O

OrbPairId : 1662, Prediction : 0.000000

Neg data

OPReactantPairId: 1657, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)C=C.CC[NH2:10].CCN.C=CC(=O)O

OrbPairId : 2959, Prediction : 0.000000

Neg data

OPReactantPairId: 3779, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C.CC[O-:10].CC[O-].CO

OrbPairId : 4417, Prediction : 0.000000

Neg data

OPReactantPairId: 1953, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CCC(=O)N[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CCC(=O)NC1=CC=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 3625, Prediction : 0.000000
CCC(=O)N[C:11]1=[CH:10]C=CC=C1.CCC(=O)NC1=CC=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 3628, Prediction : 0.000000

Neg data

OPReactantPairId: 2501, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)[C:22](=[O:23])N(C)C.CN(C)C(=O)CC#N.C[O-:10].C[O-]

OrbPairId : 2585, Prediction : 0.000000

Neg data

OPReactantPairId: 3134, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]C(=O)C.CC(=O)O

OrbPairId : 3500, Prediction : 0.000000

Neg data

OPReactantPairId: 2480, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)[C:22](=[O:23])[CH:21]=[CH2:20].CCN(CC)C(=O)C=C.[C-:10]#N.[C-]#N

OrbPairId : 2559, Prediction : 0.000000

Neg data

OPReactantPairId: 2480, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)[C:22](=[O:23])[CH:21]=[CH2:20].CCN(CC)C(=O)C=C.[C-:10]#N.[C-]#N

OrbPairId : 3296, Prediction : 0.000000

Neg data

OPReactantPairId: 2482, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCN(CC)[C:11](=[CH:10]CC#N)[O-:12].CCN(CC)C(=CCC#N)[O-].[OH3+]

OrbPairId : 2561, Prediction : 0.000000

Neg data

OPReactantPairId: 3775, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C1CCCCC1.C1CCC(=[OH+])CC1.C1=CC=[N:10]C=C1.C1=CC=NC=C1

OrbPairId : 4413, Prediction : 0.000000

Neg data

OPReactantPairId: 3773, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1[N+](=O)[O-])O.[OH-:10].[OH-]

OrbPairId : 4411, Prediction : 0.000000

Neg data

OPReactantPairId: 2044, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C=CC=[O:10].C=CC=O.[OH3+]

OrbPairId : 2078, Prediction : 0.000000

Neg data

OPReactantPairId: 2888, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[N:23]C)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CC(=NC)C

OrbPairId : 3012, Prediction : 0.000000

Neg data

OPReactantPairId: 3144, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CCCBr.C(CO)CBr

OrbPairId : 3514, Prediction : 0.000000

Neg data

OPReactantPairId: 3769, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[C:20](=[CH:21][CH:22]=[C:23]1[N+](=O)[O-])I.C1=CC(=CC=C1[N+](=O)[O-])I.[OH-:10].[OH-]

OrbPairId : 4407, Prediction : 0.000000

Neg data

OPReactantPairId: 2828, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)C#N.CCC#N.[OH-:10].[OH-]

OrbPairId : 2938, Prediction : 0.000000

Neg data

OPReactantPairId: 1540, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].C=CC[O-:10].C=CC[O-].Br

OrbPairId : 1536, Prediction : 0.000000

Neg data

OPReactantPairId: 1546, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1[CH2:20][OH+:21]1.C1C[OH+]1.[Br-:10].[Br-]

OrbPairId : 1542, Prediction : 0.000000

Neg data

OPReactantPairId: 3146, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]C(C)CC(C)Br.CC(CC(C)Br)O

OrbPairId : 3516, Prediction : 0.000000

Neg data

OPReactantPairId: 1822, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)[CH:20](CC=O)[OH2+:21].C1=CC=C(C=C1)C(CC=O)[OH2+]

OrbPairId : 1841, Prediction : 0.000000

Neg data

OPReactantPairId: 3767, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N:21]1C(=O)C2=C(C1=O)C=CC=C2.C1=CC2=C(C=C1)C(=O)NC2=O.[OH-:10].[OH-]

OrbPairId : 4405, Prediction : 0.000000

Neg data

OPReactantPairId: 3245, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)C(=O)O[C:13]2=[CH:12][CH:11]=[CH:10]C=C2.C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3677, Prediction : 0.000000
C1=CC=C(C=C1)C(=O)O[C:11]2=[CH:10]C=CC=C2.C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3678, Prediction : 0.000000

Neg data

OPReactantPairId: 2269, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[NH2+:21])O.CC(=[NH2+])O.[OH2:10].O

OrbPairId : 2326, Prediction : 0.000000

Neg data

OPReactantPairId: 1805, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1CCCC[C:20]1([N:10]2CCCC2)[OH2+:21].CC1CCCCC1(N2CCCC2)[OH2+]

OrbPairId : 1823, Prediction : 0.000000

Neg data

OPReactantPairId: 1562, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CC=C[CH2+:20].CC=C[CH2+]

OrbPairId : 1558, Prediction : 0.000000

Neg data

OPReactantPairId: 2602, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])Cl.CC(=O)Cl.CN(C)[C:11](=[CH2:10])[O-:12].CN(C)C(=C)[O-]

OrbPairId : 2696, Prediction : 0.000000

Neg data

OPReactantPairId: 2602, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])Cl.CC(=O)Cl.CN(C)[C:11](=[CH2:10])[O-:12].CN(C)C(=C)[O-]

OrbPairId : 3238, Prediction : 0.000000

Neg data

OPReactantPairId: 2604, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.C[C:11](=[CH:10]C(=O)OC)[O-:12].CC(=CC(=O)OC)[O-]

OrbPairId : 3177, Prediction : 0.000000

Neg data

OPReactantPairId: 2604, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.C[C:11](=[CH:10]C(=O)OC)[O-:12].CC(=CC(=O)OC)[O-]

OrbPairId : 2698, Prediction : 0.000000

Neg data

OPReactantPairId: 3761, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)CC(=C[C:20](=[O:21])OC(=O)C2=CC=CC=C2)O.C1=CC=C(C=C1)CC(=CC(=O)OC(=O)C2=CC=CC=C2)O.[OH-:10].[OH-]

OrbPairId : 4396, Prediction : 0.000000
C1=CC=C(C=C1)CC(=CC(=O)O[C:20](=[O:21])C2=CC=CC=C2)O.C1=CC=C(C=C1)CC(=CC(=O)OC(=O)C2=CC=CC=C2)O.[OH-:10].[OH-]

OrbPairId : 4398, Prediction : 0.000000

Neg data

OPReactantPairId: 3008, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH2:22][N+:23](C)(CC)CC.CC[N+](C)(CC)CC.[OH-:10].[OH-]

OrbPairId : 3142, Prediction : 0.000000

Neg data

OPReactantPairId: 2503, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.CO[C:22](=[O:23])[CH:21]=[CH2:20].COC(=O)C=C

OrbPairId : 3450, Prediction : 0.000000

Neg data

OPReactantPairId: 3130, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C1[CH:20]([O:21]1)[O-:10].C1C(O1)[O-]

OrbPairId : 3496, Prediction : 0.000000

Neg data

OPReactantPairId: 2168, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
CC1=C[N:21]=[CH:20]C=C1.CC1=CN=CC=C1.[NH2-:10].[NH2-]

OrbPairId : 2212, Prediction : 0.000000
CC1=CC=C[N:21]=[CH:20]1.CC1=CC=CN=C1.[NH2-:10].[NH2-]

OrbPairId : 2213, Prediction : 0.000000

Neg data

OPReactantPairId: 3132, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CCCCC1C(O1)C.CC1C(O1)CCCCO

OrbPairId : 3498, Prediction : 0.000000

Neg data

OPReactantPairId: 2501, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)[C:22](=[O:23])N(C)C.CN(C)C(=O)CC#N.C[O-:10].C[O-]

OrbPairId : 3444, Prediction : 0.000000

Neg data

OPReactantPairId: 2334, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCC1([CH:20]([O:21]1)C)C.CCC1(C(O1)C)C.CC[O-:10].CC[O-]

OrbPairId : 2397, Prediction : 0.000000

Neg data

OPReactantPairId: 3777, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(=O)C(C1=CC=CC=C1)C(C)(CC2=CC=CC=C2)[O-:10].CC(=O)C(C1=CC=CC=C1)C(C)(CC2=CC=CC=C2)[O-].O

OrbPairId : 4415, Prediction : 0.000000

Neg data

OPReactantPairId: 2794, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].[CH3:20][Br:21].CBr

OrbPairId : 2903, Prediction : 0.000000

Neg data

OPReactantPairId: 3526, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](CCCC(=O)C)[C:22](=[O:23])C.CC[O-:10].CC[O-].CC(=O)CCCCC(=O)C

OrbPairId : 4133, Prediction : 0.000000

Neg data

OPReactantPairId: 1947, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1([OH+:21]CC[O:10]1)C.CC1([OH+]CCO1)C

OrbPairId : 3732, Prediction : 0.000000

Neg data

OPReactantPairId: 3388, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)C(C)(C)C)C(C)C.CC(C)C1C=C[C+](C=C1)C(C)(C)C.[F-:10].[F-]

OrbPairId : 3979, Prediction : 0.000000

Neg data

OPReactantPairId: 1947, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1([OH+:21]CC[O:10]1)C.CC1([OH+]CCO1)C

OrbPairId : 1974, Prediction : 0.000000

Neg data

OPReactantPairId: 3255, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.C=C[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.C=CC1=CC=CC=C1

OrbPairId : 3693, Prediction : 0.000000
C[CH+:20]C.C[CH+]C.C=C[C:11]1=[CH:10]C=CC=C1.C=CC1=CC=CC=C1

OrbPairId : 3694, Prediction : 0.000000

Neg data

OPReactantPairId: 1516, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH:10]CCCC[C+:20](C)C)C.CC(=CCCCC[C+](C)C)C

OrbPairId : 1511, Prediction : 0.000000

Neg data

OPReactantPairId: 1674, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1(CCCC(=O)C1)[OH2+:21].CC1(CCCC(=O)C1)[OH2+]

OrbPairId : 1681, Prediction : 0.000000

Neg data

OPReactantPairId: 3249, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)O.C1=CC=C(C=C1)O.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3683, Prediction : 0.000000
C1=C[CH:10]=[C:11](C=C1)O.C1=CC=C(C=C1)O.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3684, Prediction : 0.000000

Neg data

OPReactantPairId: 2122, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C=C[C:20]([NH3+:21])(O)[OH:10].C=CC([NH3+])(O)O

OrbPairId : 2160, Prediction : 0.000000

Neg data

OPReactantPairId: 3765, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)CC(=CC(=O)[O:21][C:20](C2=CC=CC=C2)(O)[O-:10])O.C1=CC=C(C=C1)CC(=CC(=O)OC(C2=CC=CC=C2)(O)[O-])O

OrbPairId : 4402, Prediction : 0.000000

Neg data

OPReactantPairId: 3247, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[CH:11]1=[CH:10]C=CC=C1.C1=CC=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3680, Prediction : 0.000000

Neg data

OPReactantPairId: 1560, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1CC[C:20](=[O:21])CC1.C1CCC(=O)CC1.C1CC[NH:10]CC1.C1CCNCC1

OrbPairId : 1557, Prediction : 0.000000

Neg data

OPReactantPairId: 2511, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:11](=[CH:10]C(=O)C)[O-:12].CCOC(=CC(=O)C)[O-].C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr

OrbPairId : 2597, Prediction : 0.000000

Neg data

OPReactantPairId: 2600, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1CCC[C:3]([CH:22]1[Br:23])([H:2])C.CC1CCCCC1Br.C[O-:10].C[O-]

OrbPairId : 2694, Prediction : 0.000000

Neg data

OPReactantPairId: 2299, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C)([O-:10])[Cl:21].CCOC(C)([O-])Cl

OrbPairId : 2357, Prediction : 0.000000

Neg data

OPReactantPairId: 3612, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:11](=[CH:10][CH:20](C1=CC=CC=C1)[OH:21])[O-:12].CCOC(=CC(C1=CC=CC=C1)O)[O-]

OrbPairId : 4231, Prediction : 0.000000

Neg data

OPReactantPairId: 1880, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](=[O:21])C.CCC(=O)C.C1CC[NH:10]C1.C1CCNC1

OrbPairId : 2840, Prediction : 0.000000

Neg data

OPReactantPairId: 2246, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])CCC(=O)C.CCOC(=O)CCC(=O)C.[C-:10]#N.[C-]#N

OrbPairId : 2299, Prediction : 0.000000

Neg data

OPReactantPairId: 3705, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)([CH:22]=[O:23])C(CC)O.CCC(C(C)C=O)O.[OH-:10].[OH-]

OrbPairId : 4336, Prediction : 0.000000

Neg data

OPReactantPairId: 3682, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](C=C)(O)[O-:10].CC(=O)OC(C=C)(O)[O-]

OrbPairId : 4312, Prediction : 0.000000

Neg data

OPReactantPairId: 2297, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])OC.CC[O-:10].CC[O-].COC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3413, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)OC.CC[O-:10].CC[O-].COC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3416, Prediction : 0.000000

Neg data

OPReactantPairId: 1602, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)[C:20](C)([OH:10])[OH+:21]CC.CCN(CC)C(C)(O)[OH+]CC

OrbPairId : 1602, Prediction : 0.000000

Neg data

OPReactantPairId: 2297, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])OC.CC[O-:10].CC[O-].COC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 2355, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)OC.CC[O-:10].CC[O-].COC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 2361, Prediction : 0.000000

Neg data

OPReactantPairId: 3802, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CCC(=O)N[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CCC(=O)NC1=CC=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 4443, Prediction : 0.000000
CCC(=O)N[C:11]1=[CH:10]C=CC=C1.CCC(=O)NC1=CC=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 4444, Prediction : 0.000000

Neg data

OPReactantPairId: 3703, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)([CH:22]=[O:23])C(C)O.CC(C=O)C(C)O.[OH-:10].[OH-]

OrbPairId : 4334, Prediction : 0.000000

Neg data

OPReactantPairId: 3463, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])OCC.CCOC(=O)OCC.C1CC[C:11](=[CH:10]C1)[O-:12].C1CCC(=CC1)[O-]

OrbPairId : 4067, Prediction : 0.000000

Neg data

OPReactantPairId: 3680, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](O)([O-:10])[O:21]C(=O)C=C.CC(O)([O-])OC(=O)C=C

OrbPairId : 4310, Prediction : 0.000000

Neg data

OPReactantPairId: 3384, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1Br)C(C)C.CC(C)C1C=CC=C[C+]1Br.[F-:10].[F-]

OrbPairId : 3975, Prediction : 0.000000

Neg data

OPReactantPairId: 1568, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CC(=O)OC(=O)CC[C:20](=[O:21])Cl.CC(=O)OC(=O)CCC(=O)Cl

OrbPairId : 1566, Prediction : 0.000000

Neg data

OPReactantPairId: 1949, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(C)OCCO.CC(C)([OH2+])OCCO.[OH2:10].O

OrbPairId : 3734, Prediction : 0.000000

Neg data

OPReactantPairId: 1949, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(C)OCCO.CC(C)([OH2+])OCCO.[OH2:10].O

OrbPairId : 1976, Prediction : 0.000000

Neg data

OPReactantPairId: 2295, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(=CC)C1=CC=CC=C1.CC=C(C1=CC=CC=C1)[OH2+].[OH2:10].O

OrbPairId : 2353, Prediction : 0.000000

Neg data

OPReactantPairId: 3636, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1[CH2:20][O:21]1.C1CO1.[OH-:10].[OH-]

OrbPairId : 4256, Prediction : 0.000000

Neg data

OPReactantPairId: 1512, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC1CC[C+:20](C1)C.CCC1CC[C+](C1)C.[Br-:10].[Br-]

OrbPairId : 1507, Prediction : 0.000000

Neg data

OPReactantPairId: 1884, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C=C[C:20](=[O:21])Cl.C=CC(=O)Cl

OrbPairId : 2562, Prediction : 0.000000

Neg data

OPReactantPairId: 3522, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC(=O)CC[CH:10]=[C:11]([CH3:4])[O-:12].CC(=O)CCC=C(C)[O-]

OrbPairId : 4129, Prediction : 0.000000

Neg data

OPReactantPairId: 3701, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[CH:22]=[O:23].CCC=O.[OH-:10].[OH-]

OrbPairId : 4332, Prediction : 0.000000

Neg data

OPReactantPairId: 3461, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1CCCC[C:22]1=[O:23].CC[O-:10].CC[O-].C1CCC(=O)CC1

OrbPairId : 4065, Prediction : 0.000000

Neg data

OPReactantPairId: 3467, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCCCC1=O)[C:22](=[O:23])OCC.CC[O-:10].CC[O-].CCOC(=O)C1CCCCC1=O

OrbPairId : 4071, Prediction : 0.000000

Neg data

OPReactantPairId: 1597, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1[CH:20]([OH+:21]1)CCCC[OH:10].C1C([OH+]1)CCCCO

OrbPairId : 1597, Prediction : 0.000000

Neg data

OPReactantPairId: 2498, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](CCC=O)(C#N)[O-:10].CC(=O)OC(CCC=O)(C#N)[O-]

OrbPairId : 2581, Prediction : 0.000000

Neg data

OPReactantPairId: 3634, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC1(CCCC(=O)C1)[O-:10].CC1(CCCC(=O)C1)[O-].O

OrbPairId : 4254, Prediction : 0.000000

Neg data

OPReactantPairId: 1514, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CC(=CCCC[CH:10]=[C:11](C)C)C.CC(=CCCCC=C(C)C)C.Br

OrbPairId : 1509, Prediction : 0.000000

Neg data

OPReactantPairId: 3520, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](C(C)C(=O)OCC)([O-:10])[O:21]CC.CCC(C(C)C(=O)OCC)([O-])OCC

OrbPairId : 4126, Prediction : 0.000000

Neg data

OPReactantPairId: 1518, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CC1(CCCC1)[CH:11]=[CH2:10].CC1(CCCC1)C=C.Br

OrbPairId : 1514, Prediction : 0.000000

Neg data

OPReactantPairId: 3071, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:10][C:11](C)(C)[CH+:20]CC(C(C)C)Cl.CC(C)[CH+]CC(C(C)C)Cl

OrbPairId : 3264, Prediction : 0.000000

Neg data

OPReactantPairId: 2567, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[Li:11][O:10]C(CCC(=O)C)C1=CC=CC=C1.[Li]OC(CCC(=O)C)C1=CC=CC=C1.[OH3+]

OrbPairId : 2658, Prediction : 0.000000

Neg data

OPReactantPairId: 3666, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)CC(=C[C:20](O)([O-:10])[Cl:21])O.C1=CC=C(C=C1)CC(=CC(O)([O-])Cl)O

OrbPairId : 4288, Prediction : 0.000000

Neg data

OPReactantPairId: 3638, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C[C:20](=[O:21])OC=O.CC(=O)OC=O.[OH-:10].[OH-]

OrbPairId : 4258, Prediction : 0.000000
CC(=O)O[CH:20]=[O:21].CC(=O)OC=O.[OH-:10].[OH-]

OrbPairId : 4259, Prediction : 0.000000

Neg data

OPReactantPairId: 3471, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][F:21].CC(C)[CH:11]=[CH2:10].CC(C)C=C.F

OrbPairId : 4075, Prediction : 0.000000

Neg data

OPReactantPairId: 1578, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[OH+:21].CC=[OH+].[CH2:10]=[CH:11][OH:12].C=CO

OrbPairId : 1577, Prediction : 0.000000

Neg data

OPReactantPairId: 2824, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C-:10]([N+](=O)[O-])Br.CC[C-]([N+](=O)[O-])Br.[Br:20][Br:21].BrBr

OrbPairId : 2934, Prediction : 0.000000

Neg data

OPReactantPairId: 3148, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH:21](C#N)[N+](=O)[O-].C(C#N)[N+](=O)[O-]

OrbPairId : 3518, Prediction : 0.000000

Neg data

OPReactantPairId: 1511, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH+:20]C1=CC=CC=C1.CC[CH+]C1=CC=CC=C1.[Br-:10].[Br-]

OrbPairId : 1506, Prediction : 0.000000

Neg data

OPReactantPairId: 3473, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([C:23](=[CH:22]1)Br)OC)C(C)C.CC(C)C1C=C[C+](C(=C1)Br)OC.[F-:10].[F-]

OrbPairId : 4077, Prediction : 0.000000

Neg data

OPReactantPairId: 3668, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])N(C)C.CC(=O)N(C)C.[OH-:10].[OH-]

OrbPairId : 4291, Prediction : 0.000000

Neg data

OPReactantPairId: 2826, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C(C#N)C#N)([O-:10])[Cl:21].CC(C(C#N)C#N)([O-])Cl

OrbPairId : 2936, Prediction : 0.000000

Neg data

OPReactantPairId: 2826, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C(C#N)C#N)([O-:10])[Cl:21].CC(C(C#N)C#N)([O-])Cl

OrbPairId : 3303, Prediction : 0.000000

Neg data

OPReactantPairId: 3067, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C1=CC=CC=C1)[C+:22](C)C(C)C.CC(C)[C+](C)CC1=CC=CC=C1.CC(C)(C)[OH:10].CC(C)(C)O

OrbPairId : 3233, Prediction : 0.000000
CC(C)[C+:20](C)CC1=CC=CC=C1.CC(C)[C+](C)CC1=CC=CC=C1.CC(C)(C)[OH:10].CC(C)(C)O

OrbPairId : 3234, Prediction : 0.000000

Neg data

OPReactantPairId: 3475, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C([C+:22]1OC)Br)C(C)C.CC(C)C1C=CC=C([C+]1OC)Br.[F-:10].[F-]

OrbPairId : 4079, Prediction : 0.000000

Neg data

OPReactantPairId: 1576, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1[CH:20]([OH+:21]1)CCC[OH:10].CC1C([OH+]1)CCCO

OrbPairId : 1575, Prediction : 0.000000

Neg data

OPReactantPairId: 2244, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](CC=[N+]1CCCCC1)([O-:10])[Cl:21].CC(CC=[N+]1CCCCC1)([O-])Cl

OrbPairId : 3319, Prediction : 0.000000

Neg data

OPReactantPairId: 3684, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])NC.CC(=O)NC.[OH-:10].[OH-]

OrbPairId : 4314, Prediction : 0.000000

Neg data

OPReactantPairId: 2244, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](CC=[N+]1CCCCC1)([O-:10])[Cl:21].CC(CC=[N+]1CCCCC1)([O-])Cl

OrbPairId : 2297, Prediction : 0.000000

Neg data

OPReactantPairId: 2949, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](C)(C)C(C)CC.CCC(C)[NH+](C)C.[I-:10].[I-]

OrbPairId : 3081, Prediction : 0.000000

Neg data

OPReactantPairId: 3608, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:11](=[CH2:10])[O-:12].CCOC(=C)[O-].C1=CC=C(C=C1)[CH:20]=[O:21].C1=CC=C(C=C1)C=O

OrbPairId : 4227, Prediction : 0.000000

Neg data

OPReactantPairId: 3065, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](CC)[C+:22](C)C.CCC[C+](C)C.CC(C)(C)[OH:10].CC(C)(C)O

OrbPairId : 3222, Prediction : 0.000000
CCC[C+:20](C)C.CCC[C+](C)C.CC(C)(C)[OH:10].CC(C)(C)O

OrbPairId : 3223, Prediction : 0.000000

Neg data

OPReactantPairId: 3162, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH2:21][CH:22]=[O:23].CC=O

OrbPairId : 3536, Prediction : 0.000000

Neg data

OPReactantPairId: 2405, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=O)C[C:20](=[O:21])Cl.C1=CC=C(C=C1)CC(=O)CC(=O)Cl

OrbPairId : 3216, Prediction : 0.000000

Neg data

OPReactantPairId: 2806, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)OC(=O)CC[C:20]([O-:10])(OC)[Cl:21].CC(=O)OC(=O)CCC([O-])(OC)Cl

OrbPairId : 2916, Prediction : 0.000000

Neg data

OPReactantPairId: 2573, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[Li:11][O:10]C(C)(CCC(=O)C1=CC=CC=C1)C2=CC=CC=C2.[Li]OC(C)(CCC(=O)C1=CC=CC=C1)C2=CC=CC=C2.[OH3+]

OrbPairId : 2665, Prediction : 0.000000

Neg data

OPReactantPairId: 2721, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(=O)OCC(=O)[O-:10].CC(=O)OCC(=O)[O-].[OH3+]

OrbPairId : 2823, Prediction : 0.000000

Neg data

OPReactantPairId: 2194, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])C)C(=O)CC1=CC=CC=C1.CC[O-:10].CC[O-].CC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3417, Prediction : 0.000000
[H:20][CH:21](C(=O)C)[C:22](=[O:23])CC1=CC=CC=C1.CC[O-:10].CC[O-].CC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3418, Prediction : 0.000000

Neg data

OPReactantPairId: 3160, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C1[CH:20]([O:21]1)CCCC[O-:10].C1C(O1)CCCC[O-]

OrbPairId : 3532, Prediction : 0.000000

Neg data

OPReactantPairId: 2268, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)OC(=O)CC[C:20](NC)([O-:10])[Cl:21].CC(=O)OC(=O)CCC(NC)([O-])Cl

OrbPairId : 2325, Prediction : 0.000000

Neg data

OPReactantPairId: 3394, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.C[C:13]1=[C:12]2C=CC=C[C:11]2=[CH:10]C=C1.CC1=C2C=CC=CC2=CC=C1

OrbPairId : 3986, Prediction : 0.000000

Neg data

OPReactantPairId: 3602, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)[C:22](=[O:23])C.CC[O-:10].CC[O-].CC(=O)CC#N

OrbPairId : 4221, Prediction : 0.000000

Neg data

OPReactantPairId: 2804, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)OC(=O)CC[C:20](=[O:21])Cl.CC(=O)OC(=O)CCC(=O)Cl.C[O-:10].C[O-]

OrbPairId : 2913, Prediction : 0.000000

Neg data

OPReactantPairId: 3075, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[N+:23]1CCCC1)CCCC(=O)C.CC(=C)[N:10]1CCCC1.CC(=C)N1CCCC1.CC(=[N+]1CCCC1)CCCC(=O)C

OrbPairId : 3293, Prediction : 0.000000

Neg data

OPReactantPairId: 3396, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:22]=[CH:23][C+:24](C2=CC=CC=C21)C)C(C)C.C[C+]1C=CC(C2=CC=CC=C21)C(C)C.[F-:10].[F-]

OrbPairId : 3988, Prediction : 0.000000

Neg data

OPReactantPairId: 2959, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)C.C[NH2+]C.[I-:10].[I-]

OrbPairId : 3090, Prediction : 0.000000

Neg data

OPReactantPairId: 2266, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].CC(=O)[CH2:20][Br:21].CC(=O)CBr

OrbPairId : 3316, Prediction : 0.000000

Neg data

OPReactantPairId: 2266, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].CC(=O)[CH2:20][Br:21].CC(=O)CBr

OrbPairId : 2323, Prediction : 0.000000

Neg data

OPReactantPairId: 1780, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C=C([C+:22]1OC(=O)CC)Br)Br)Br.CCC(=O)O[C+]1C(C=C(C=C1Br)Br)Br.[Br-:10].[Br-]

OrbPairId : 1799, Prediction : 0.000000

Neg data

OPReactantPairId: 3263, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.CC(C)[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CC(C)C1=CC=CC=C1

OrbPairId : 3704, Prediction : 0.000000

Neg data

OPReactantPairId: 3077, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[C:20](C)(CC=NC)[Br:21].CC(C)C(C)(CC=NC)Br

OrbPairId : 3302, Prediction : 0.000000

Neg data

OPReactantPairId: 1931, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=C(C=C([C:11](=[CH:10]1)O)Br)Br.C1=C(C=C(C(=C1)O)Br)Br.[Br:20][Br:21].BrBr

OrbPairId : 1958, Prediction : 0.000000

Neg data

OPReactantPairId: 2264, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(=N)C.CC(=N)[OH2+].[OH2:10].O

OrbPairId : 3816, Prediction : 0.000000

Neg data

OPReactantPairId: 2565, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C)([O-:10])[O:21]CC.CCNC(C)([O-])OCC

OrbPairId : 3323, Prediction : 0.000000

Neg data

OPReactantPairId: 3390, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=CC=C2C(=O)C)C(C)C.CC(C)C1[CH+]C=CC2=C1C=CC=C2C(=O)C.[F-:10].[F-]

OrbPairId : 3981, Prediction : 0.000000

Neg data

OPReactantPairId: 1782, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CN(C)[C:13]1=[C:12]([CH:11]=[CH:10]C=C1)Br.CN(C)C1=C(C=CC=C1)Br.[Br:20][Br:21].BrBr

OrbPairId : 1800, Prediction : 0.000000

Neg data

OPReactantPairId: 2733, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(=O)CCC=C=[N-:10].CC(=O)CCC=C=[N-].[OH3+]

OrbPairId : 2836, Prediction : 0.000000

Neg data

OPReactantPairId: 3401, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]12[CH:5]=[CH:6]C=C[C+:22]1CCCCC2C.CC1CCCC[C+]2C1C=CC=C2.[F-:10].[F-]

OrbPairId : 3994, Prediction : 0.000000

Neg data

OPReactantPairId: 3516, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([CH:22]=[O:23])C(C)O.CC[O-:10].CC[O-].CC(CC=O)O

OrbPairId : 4122, Prediction : 0.000000

Neg data

OPReactantPairId: 2963, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](C)(C)C.C[NH+](C)C.[I-:10].[I-]

OrbPairId : 3095, Prediction : 0.000000

Neg data

OPReactantPairId: 1788, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CC(=O)CC[C:20](=[O:21])Cl.CC(=O)CCC(=O)Cl

OrbPairId : 1807, Prediction : 0.000000

Neg data

OPReactantPairId: 2965, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCC(CC)(C(C)C)[NH:10]C.CCC(CC)(C(C)C)NC.[CH3:20][I:21].CI

OrbPairId : 3096, Prediction : 0.000000

Neg data

OPReactantPairId: 2735, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC[CH:20](C(C)C)[Br:21].CCC(C(C)C)Br.CC[O-:10].CC[O-]

OrbPairId : 4159, Prediction : 0.000000
[H:20][C:21](C)(C)[CH:22](CC)[Br:23].CCC(C(C)C)Br.CC[O-:10].CC[O-]

OrbPairId : 4160, Prediction : 0.000000

Neg data

OPReactantPairId: 2735, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CC[CH:20](C(C)C)[Br:21].CCC(C(C)C)Br.CC[O-:10].CC[O-]

OrbPairId : 2838, Prediction : 0.000000
[H:20][C:21](C)(C)[CH:22](CC)[Br:23].CCC(C(C)C)Br.CC[O-:10].CC[O-]

OrbPairId : 2839, Prediction : 0.000000

Neg data

OPReactantPairId: 2832, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=O)C[C:20](=[O:21])OC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)CC(=O)CC(=O)OC(=O)C2=CC=CC=C2

OrbPairId : 3446, Prediction : 0.000000
CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=O)CC(=O)O[C:20](=[O:21])C2=CC=CC=C2.C1=CC=C(C=C1)CC(=O)CC(=O)OC(=O)C2=CC=CC=C2

OrbPairId : 3447, Prediction : 0.000000

Neg data

OPReactantPairId: 2832, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=O)C[C:20](=[O:21])OC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)CC(=O)CC(=O)OC(=O)C2=CC=CC=C2

OrbPairId : 2943, Prediction : 0.000000
CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=O)CC(=O)O[C:20](=[O:21])C2=CC=CC=C2.C1=CC=C(C=C1)CC(=O)CC(=O)OC(=O)C2=CC=CC=C2

OrbPairId : 2944, Prediction : 0.000000

Neg data

OPReactantPairId: 2341, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[O:10])[O-:12].CC(=O)[O-].C[C:20](=[O:21])Cl.CC(=O)Cl

OrbPairId : 3285, Prediction : 0.000000

Neg data

OPReactantPairId: 2341, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[O:10])[O-:12].CC(=O)[O-].C[C:20](=[O:21])Cl.CC(=O)Cl

OrbPairId : 2405, Prediction : 0.000000

Neg data

OPReactantPairId: 2343, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:10]=[CH:11][O-:12].C=C[O-].C1[CH2:20][O:21]1.C1CO1

OrbPairId : 2408, Prediction : 0.000000

Neg data

OPReactantPairId: 2343, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:10]=[CH:11][O-:12].C=C[O-].C1[CH2:20][O:21]1.C1CO1

OrbPairId : 3374, Prediction : 0.000000

Neg data

OPReactantPairId: 3606, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH:21]C(=O)CCNC(=O)C=C.CC[O-:10].CC[O-].C=CC(=O)NCCC(=O)N

OrbPairId : 4225, Prediction : 0.000000

Neg data

OPReactantPairId: 2808, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CN(C)C(=O)CCC[O-:10].CN(C)C(=O)CCC[O-].[OH3+]

OrbPairId : 2917, Prediction : 0.000000

Neg data

OPReactantPairId: 2345, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC=C[CH2:20][I:21].CC=CCI.[C-:10]#N.[C-]#N

OrbPairId : 2409, Prediction : 0.000000

Neg data

OPReactantPairId: 3275, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)O.C1=CC=C(C=C1)O

OrbPairId : 3763, Prediction : 0.000000
C[C+:20]=O.C[C+]=O.C1=C[CH:10]=[C:11](C=C1)O.C1=CC=C(C=C1)O

OrbPairId : 3764, Prediction : 0.000000

Neg data

OPReactantPairId: 1923, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:11]1=[CH:10]C=C(C2=CC=CC=C21)Br.COC1=CC=C(C2=CC=CC=C21)Br.[Br:20][Br:21].BrBr

OrbPairId : 1949, Prediction : 0.000000

Neg data

OPReactantPairId: 2252, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[C-:10]#N.[C-]#N.[OH3+]

OrbPairId : 2305, Prediction : 0.000000

Neg data

OPReactantPairId: 2723, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C=C[C:20](=[O:21])Cl.C=CC(=O)Cl

OrbPairId : 3235, Prediction : 0.000000

Neg data

OPReactantPairId: 2723, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C=C[C:20](=[O:21])Cl.C=CC(=O)Cl

OrbPairId : 2826, Prediction : 0.000000

Neg data

OPReactantPairId: 1483, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CC[C:11](=[CH:10]C)C.CCC(=CC)C.Br

OrbPairId : 1479, Prediction : 0.000000

Neg data

OPReactantPairId: 1789, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[C:20](=[O:21])Cl.CC(=O)Cl

OrbPairId : 2810, Prediction : 0.000000

Neg data

OPReactantPairId: 3417, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)O)C(C)C.CC(C)C1C=C[C+](C=C1)O.[F-:10].[F-]

OrbPairId : 4015, Prediction : 0.000000

Neg data

OPReactantPairId: 2365, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)OC(=O)CC[C:20](C#N)([O-:10])[Cl:21].CC(=O)OC(=O)CCC(C#N)([O-])Cl

OrbPairId : 2433, Prediction : 0.000000

Neg data

OPReactantPairId: 2490, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)CC[CH:20]([C:21]#N)[O-:10].CC(=O)CCC(C#N)[O-]

OrbPairId : 2570, Prediction : 0.000000

Neg data

OPReactantPairId: 2299, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C)([O-:10])[Cl:21].CCOC(C)([O-])Cl

OrbPairId : 3241, Prediction : 0.000000

Neg data

OPReactantPairId: 2492, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
C[C:20](=[O:21])OC(=O)CCC=O.CC(=O)OC(=O)CCC=O.C[O-:10].C[O-]

OrbPairId : 2573, Prediction : 0.000000
CC(=O)O[C:20](=[O:21])CCC=O.CC(=O)OC(=O)CCC=O.C[O-:10].C[O-]

OrbPairId : 2574, Prediction : 0.000000

Neg data

OPReactantPairId: 3786, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C.CO.C(CC[O-:10])CC(=O)O.C(CC[O-])CC(=O)O

OrbPairId : 4425, Prediction : 0.000000

Neg data

OPReactantPairId: 1747, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C1[CH2:20][OH+:21]1.C1C[OH+]1

OrbPairId : 1760, Prediction : 0.000000

Neg data

OPReactantPairId: 2199, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
C1=CN=C[C:21]#[C:20]1.C1=CN=CC#C1.[NH2-:10].[NH2-]

OrbPairId : 2246, Prediction : 0.000000
C1=CN=C[C:20]#[C:21]1.C1=CN=CC#C1.[NH2-:10].[NH2-]

OrbPairId : 2247, Prediction : 0.000000

Neg data

OPReactantPairId: 3518, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C:22](=[O:23])OCC.CCC(=O)OCC.CC[O-:10].CC[O-]

OrbPairId : 4124, Prediction : 0.000000

Neg data

OPReactantPairId: 3405, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)NC(=O)CC)C(C)C.CCC(=O)N[C+]1C=CC(C=C1)C(C)C.[F-:10].[F-]

OrbPairId : 3998, Prediction : 0.000000

Neg data

OPReactantPairId: 3784, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C.CO.[C-:10]#CCO.[C-]#CCO

OrbPairId : 4423, Prediction : 0.000000

Neg data

OPReactantPairId: 2731, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.[CH2:20]=[CH:21][C:22]#[N:23].C=CC#N

OrbPairId : 3297, Prediction : 0.000000

Neg data

OPReactantPairId: 3150, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CCCCCC(=O)OC(=O)C.CC(=O)OC(=O)CCCCCO

OrbPairId : 3520, Prediction : 0.000000

Neg data

OPReactantPairId: 2731, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.[CH2:20]=[CH:21][C:22]#[N:23].C=CC#N

OrbPairId : 2834, Prediction : 0.000000

Neg data

OPReactantPairId: 1601, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10]CC.CCNCC.CCO[C:20](=[O:21])C.CCOC(=O)C

OrbPairId : 1601, Prediction : 0.000000

Neg data

OPReactantPairId: 2961, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])CBr.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CC(=O)CBr

OrbPairId : 3094, Prediction : 0.000000

Neg data

OPReactantPairId: 3407, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)C#C)C(=C)C2=CC=CC=C2.C=C(C1C=C[C+](C=C1)C#C)C2=CC=CC=C2.[F-:10].[F-]

OrbPairId : 4002, Prediction : 0.000000

Neg data

OPReactantPairId: 3031, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10]C.CCNC.[CH3:20][I:21].CI

OrbPairId : 3167, Prediction : 0.000000

Neg data

OPReactantPairId: 1901, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[CH:10]=[C:11]2C=CC=CC2=C1.C1=CC=C2C=CC=CC2=C1.[Br:20][Br:21].BrBr

OrbPairId : 3637, Prediction : 0.000000

Neg data

OPReactantPairId: 2466, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(N(CC)CC)O.CCN(CC)C(C)([OH2+])O.[OH2:10].O

OrbPairId : 3882, Prediction : 0.000000

Neg data

OPReactantPairId: 3156, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH:21](C)C#N.CCC#N

OrbPairId : 3528, Prediction : 0.000000

Neg data

OPReactantPairId: 2466, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(N(CC)CC)O.CCN(CC)C(C)([OH2+])O.[OH2:10].O

OrbPairId : 2544, Prediction : 0.000000

Neg data

OPReactantPairId: 1491, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CO[CH:11]=[CH:10]C1=CC=CC=C1.COC=CC1=CC=CC=C1.Br

OrbPairId : 1489, Prediction : 0.000000

Neg data

OPReactantPairId: 1493, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC=[C+:20]C.CC=[C+]C.[Br-:10].[Br-]

OrbPairId : 1485, Prediction : 0.000000

Neg data

OPReactantPairId: 3332, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][F:21].[CH2:10]=[CH:11]CCCC1=CC=CC=C1.C=CCCCC1=CC=CC=C1.F

OrbPairId : 3916, Prediction : 0.000000

Neg data

OPReactantPairId: 2695, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.C[CH:10]=[C:11](C)[O-:12].CC=C(C)[O-]

OrbPairId : 2794, Prediction : 0.000000

Neg data

OPReactantPairId: 3364, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C(CC1=CC=CC=C1)NC(=O)C)O.CC(=O)NC(CC1=CC=CC=C1)C(=[OH+])O.[OH2:10].O

OrbPairId : 3952, Prediction : 0.000000

Neg data

OPReactantPairId: 2695, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.C[CH:10]=[C:11](C)[O-:12].CC=C(C)[O-]

OrbPairId : 3292, Prediction : 0.000000

Neg data

OPReactantPairId: 2377, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCNC[CH:10]=[CH:11][O-:12].CCNCC=C[O-].[OH3+]

OrbPairId : 2449, Prediction : 0.000000

Neg data

OPReactantPairId: 1811, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C+:20](C)CC.CC[C+](C)CC.CC[OH:10].CCO

OrbPairId : 1829, Prediction : 0.000000

Neg data

OPReactantPairId: 2468, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH+:21](CC)[C:20](C)(O)[OH:10].CC[NH+](CC)C(C)(O)O

OrbPairId : 2546, Prediction : 0.000000

Neg data

OPReactantPairId: 2468, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH+:21](CC)[C:20](C)(O)[OH:10].CC[NH+](CC)C(C)(O)O

OrbPairId : 3887, Prediction : 0.000000

Neg data

OPReactantPairId: 3366, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(NC(CC1=CC=CC=C1)C(=O)O)O.CC(NC(CC1=CC=CC=C1)C(=O)O)([OH2+])O.[OH2:10].O

OrbPairId : 3954, Prediction : 0.000000

Neg data

OPReactantPairId: 2947, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C(=O)CC[C:22]1=[O:23])C.CC1C(=O)CCC1=O.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3079, Prediction : 0.000000

Neg data

OPReactantPairId: 1813, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1[CH:20]([OH+:21]1)[OH:10].CC1C([OH+]1)O

OrbPairId : 1832, Prediction : 0.000000

Neg data

OPReactantPairId: 3413, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=C(C=C2)C(F)(F)F)C(C)C.CC(C)C1[CH+]C=CC2=C1C=C(C=C2)C(F)(F)F.[F-:10].[F-]

OrbPairId : 4010, Prediction : 0.000000

Neg data

OPReactantPairId: 2945, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCC(C)[NH2:10].CCC(C)N.[CH3:20][I:21].CI

OrbPairId : 3077, Prediction : 0.000000

Neg data

OPReactantPairId: 3069, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)C(C[CH:20](C(C)C)[Cl:21])Cl.CC(C)C(CC(C(C)C)Cl)Cl

OrbPairId : 3262, Prediction : 0.000000

Neg data

OPReactantPairId: 1487, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1[C:20]([OH+:21]1)(C)C.CC1C([OH+]1)(C)C.[Br-:10].[Br-]

OrbPairId : 1478, Prediction : 0.000000

Neg data

OPReactantPairId: 3411, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1C#C)C(=C)C2=CC=CC=C2.C=C(C1C=CC=C[C+]1C#C)C2=CC=CC=C2.[F-:10].[F-]

OrbPairId : 4006, Prediction : 0.000000

Neg data

OPReactantPairId: 1815, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1[CH:20]([OH+:21]1)CCC[OH:10].C1C([OH+]1)CCCO

OrbPairId : 1834, Prediction : 0.000000

Neg data

OPReactantPairId: 2496, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C#N)([O-:10])[O:21]C(=O)CCC=O.CC(C#N)([O-])OC(=O)CCC=O

OrbPairId : 2579, Prediction : 0.000000

Neg data

OPReactantPairId: 2448, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(CC=O)[O-:10].CC(CC=O)[O-].[OH3+]

OrbPairId : 2524, Prediction : 0.000000

Neg data

OPReactantPairId: 2367, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][CH:10](C)[CH:20]=[CH2:21].[Li]C(C)C=C

OrbPairId : 2436, Prediction : 0.000000

Neg data

OPReactantPairId: 3308, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.CC(=O)C1=C2C=C[CH:11]=[CH:10]C2=CC=C1.CC(=O)C1=C2C=CC=CC2=CC=C1

OrbPairId : 3852, Prediction : 0.000000

Neg data

OPReactantPairId: 1485, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.[Br-:10].[Br-]

OrbPairId : 1474, Prediction : 0.000000

Neg data

OPReactantPairId: 2658, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20]1(C=C[C-:12]([CH:11]=[CH:10]1)[N+](=O)[O-])[I:21].CCOC1(C=C[C-](C=C1)[N+](=O)[O-])I

OrbPairId : 2755, Prediction : 0.000000

Neg data

OPReactantPairId: 3045, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCC(C)(C)[NH:10]C.CCC(C)(C)NC.[CH3:20][I:21].CI

OrbPairId : 3182, Prediction : 0.000000

Neg data

OPReactantPairId: 2953, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH3:20][I:21].CI.[NH3:10].N

OrbPairId : 3085, Prediction : 0.000000

Neg data

OPReactantPairId: 2234, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](CC(=O)OCC)(O)[OH:10].CC[OH+]C(CC(=O)OCC)(O)O

OrbPairId : 3829, Prediction : 0.000000

Neg data

OPReactantPairId: 2687, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC1(CC[O:21][C:20]1(C)[O-:10])C.CC1(CCOC1(C)[O-])C

OrbPairId : 2784, Prediction : 0.000000

Neg data

OPReactantPairId: 2444, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH:22]=[O:23].CC[O-:10].CC[O-].CC=O

OrbPairId : 2519, Prediction : 0.000000

Neg data

OPReactantPairId: 2687, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1(CC[O:21][C:20]1(C)[O-:10])C.CC1(CCOC1(C)[O-])C

OrbPairId : 3400, Prediction : 0.000000

Neg data

OPReactantPairId: 3398, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)OCC)C(C)C.CCO[C+]1C=CC(C=C1)C(C)C.[F-:10].[F-]

OrbPairId : 3990, Prediction : 0.000000

Neg data

OPReactantPairId: 2442, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C.[NH3:10].N

OrbPairId : 3434, Prediction : 0.000000

Neg data

OPReactantPairId: 2442, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C.[NH3:10].N

OrbPairId : 2517, Prediction : 0.000000

Neg data

OPReactantPairId: 3047, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC=CC1CCCC(C1[N:10](C)C)C.CC=CC1CCCC(C1N(C)C)C.[CH3:20][I:21].CI

OrbPairId : 3185, Prediction : 0.000000

Neg data

OPReactantPairId: 2478, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20](CC)[Br:21].CCC(CC)Br.[C-:10]#N.[C-]#N

OrbPairId : 2557, Prediction : 0.000000

Neg data

OPReactantPairId: 3079, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([CH:22]=[N+:23]1CCCCC1)C(=O)C.CC(=O)CC=[N+]1CCCCC1.C=C[N:10]1CCCCC1.C=CN1CCCCC1

OrbPairId : 3320, Prediction : 0.000000

Neg data

OPReactantPairId: 2369, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][CH2:10]C=CC.[Li]CC=CC.C1[CH2:20][O:21]1.C1CO1

OrbPairId : 2438, Prediction : 0.000000

Neg data

OPReactantPairId: 2955, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH2+:21]C.C[NH3+].[I-:10].[I-]

OrbPairId : 3086, Prediction : 0.000000

Neg data

OPReactantPairId: 1495, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1(C[OH+:21]1)C.CC1(C[OH+]1)C.[Br-:10].[Br-]

OrbPairId : 1488, Prediction : 0.000000

Neg data

OPReactantPairId: 3336, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[CH:10]=[C:11](C=C1)OCC[C+:20]=O.C1=CC=C(C=C1)OCC[C+]=O

OrbPairId : 3922, Prediction : 0.000000

Neg data

OPReactantPairId: 2373, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])C.CCOC(=O)C.CCO[C:11](=[CH2:10])[O-:12].CCOC(=C)[O-]

OrbPairId : 2443, Prediction : 0.000000

Neg data

OPReactantPairId: 1886, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C=C)([OH:10])[Cl:21].CCNC(C=C)(O)Cl

OrbPairId : 1911, Prediction : 0.000000

Neg data

OPReactantPairId: 2373, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])C.CCOC(=O)C.CCO[C:11](=[CH2:10])[O-:12].CCOC(=C)[O-]

OrbPairId : 3201, Prediction : 0.000000

Neg data

OPReactantPairId: 2957, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[NH2:10].CN.[CH3:20][I:21].CI

OrbPairId : 3088, Prediction : 0.000000

Neg data

OPReactantPairId: 3334, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.[CH:11]1=[CH:10]C2=CC=CC(=C2C=C1)[N+](=O)[O-].C1=CC2=CC=CC(=C2C=C1)[N+](=O)[O-]

OrbPairId : 3919, Prediction : 0.000000

Neg data

OPReactantPairId: 1497, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20]1(C[OH+:21]1)C.CCC1(C[OH+]1)C.[Br-:10].[Br-]

OrbPairId : 1491, Prediction : 0.000000

Neg data

OPReactantPairId: 1537, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20][CH:10]=[CH2:11].C[CH+]C=C

OrbPairId : 1533, Prediction : 0.000000

Neg data

OPReactantPairId: 2697, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])CCC(=O)N(C)C.CCOC(=O)CCC(=O)N(C)C.C[O-:10].C[O-]

OrbPairId : 3361, Prediction : 0.000000

Neg data

OPReactantPairId: 1881, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)(C)[CH:20]1C[Br+:21]1.CC(C)(C)C1C[Br+]1.[Br-:10].[Br-]

OrbPairId : 1906, Prediction : 0.000000

Neg data

OPReactantPairId: 2697, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])CCC(=O)N(C)C.CCOC(=O)CCC(=O)N(C)C.C[O-:10].C[O-]

OrbPairId : 2796, Prediction : 0.000000

Neg data

OPReactantPairId: 2375, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)C)[C:22](=[O:23])OCC.CC[O-:10].CC[O-].CCOC(=O)CC(=O)C

OrbPairId : 3203, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])C)C(=O)OCC.CC[O-:10].CC[O-].CCOC(=O)CC(=O)C

OrbPairId : 3204, Prediction : 0.000000

Neg data

OPReactantPairId: 1612, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C(C[CH:20]=[OH+:21])C[OH:10].C(CC=[OH+])CO

OrbPairId : 1612, Prediction : 0.000000

Neg data

OPReactantPairId: 2375, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)C)[C:22](=[O:23])OCC.CC[O-:10].CC[O-].CCOC(=O)CC(=O)C

OrbPairId : 2445, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])C)C(=O)OCC.CC[O-:10].CC[O-].CCOC(=O)CC(=O)C

OrbPairId : 2446, Prediction : 0.000000

Neg data

OPReactantPairId: 1861, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC1([C:20]([Br+:21]1)(C)CC)C.CCC1(C([Br+]1)(C)CC)C.[Br-:10].[Br-]

OrbPairId : 1885, Prediction : 0.000000

Neg data

OPReactantPairId: 2379, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)(C)[CH:22](CC)[Br:23].CCC(C(C)C)Br.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 2451, Prediction : 0.000000

Neg data

OPReactantPairId: 2344, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[C:20](C)([O-:10])[Cl:21].CC(=O)OC(C)([O-])Cl

OrbPairId : 2407, Prediction : 0.000000

Neg data

OPReactantPairId: 2359, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20]1(CCCCO1)[O-:10].CC(=O)OC1(CCCCO1)[O-]

OrbPairId : 3535, Prediction : 0.000000

Neg data

OPReactantPairId: 2476, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:20]=[CH:21][C:22]#[N:23].C=CC#N.[C-:10]#N.[C-]#N

OrbPairId : 3391, Prediction : 0.000000

Neg data

OPReactantPairId: 2476, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:20]=[CH:21][C:22]#[N:23].C=CC#N.[C-:10]#N.[C-]#N

OrbPairId : 2555, Prediction : 0.000000

Neg data

OPReactantPairId: 2977, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1=[CH:3][Br+:21]1.CC1=C[Br+]1.[OH2:10].O

OrbPairId : 3109, Prediction : 0.000000

Neg data

OPReactantPairId: 2699, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](CC(=O)N(C)C)[C:22](=[O:23])OC.CN(C)C(=O)CCC(=O)OC.C[O-:10].C[O-]

OrbPairId : 2799, Prediction : 0.000000

Neg data

OPReactantPairId: 2699, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](CC(=O)N(C)C)[C:22](=[O:23])OC.CN(C)C(=O)CCC(=O)OC.C[O-:10].C[O-]

OrbPairId : 3364, Prediction : 0.000000

Neg data

OPReactantPairId: 3159, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CCCCC1CO1.C1C(O1)CCCCO

OrbPairId : 3531, Prediction : 0.000000

Neg data

OPReactantPairId: 2854, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(O)[OH:10].CC(O)O.[OH3+]

OrbPairId : 2970, Prediction : 0.000000

Neg data

OPReactantPairId: 2683, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CN(C)[C:11](=[CH2:10])[O-:12].CN(C)C(=C)[O-].C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr

OrbPairId : 2780, Prediction : 0.000000

Neg data

OPReactantPairId: 2683, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CN(C)[C:11](=[CH2:10])[O-:12].CN(C)C(=C)[O-].C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr

OrbPairId : 3392, Prediction : 0.000000

Neg data

OPReactantPairId: 1535, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH+:20]OC.CC[CH+]OC.[Br-:10].[Br-]

OrbPairId : 1531, Prediction : 0.000000

Neg data

OPReactantPairId: 3532, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[C:10]1CCC[C:20]1(C)[OH:21])[O-:12].CC(=C1CCCC1(C)O)[O-]

OrbPairId : 4139, Prediction : 0.000000

Neg data

OPReactantPairId: 2357, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCOC(=O)C(C[CH:10]=[C:11](C)[O-:12])C(=O)OCC.CCOC(=O)C(CC=C(C)[O-])C(=O)OCC.[OH3+]

OrbPairId : 2424, Prediction : 0.000000

Neg data

OPReactantPairId: 2685, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:10](=[C:11](C)[O-:12])C.CC(=C(C)[O-])C.C1[CH2:20][O:21]1.C1CO1

OrbPairId : 3398, Prediction : 0.000000

Neg data

OPReactantPairId: 2446, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[O:21].CC=O.[CH2:10]=[CH:11][O-:12].C=C[O-]

OrbPairId : 3247, Prediction : 0.000000

Neg data

OPReactantPairId: 2685, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:10](=[C:11](C)[O-:12])C.CC(=C(C)[O-])C.C1[CH2:20][O:21]1.C1CO1

OrbPairId : 2782, Prediction : 0.000000

Neg data

OPReactantPairId: 2446, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[O:21].CC=O.[CH2:10]=[CH:11][O-:12].C=C[O-]

OrbPairId : 2521, Prediction : 0.000000

Neg data

OPReactantPairId: 2689, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])C.CCOC(=O)C.[CH2-:10]C1=NC=CC=C1.[CH2-]C1=NC=CC=C1

OrbPairId : 2786, Prediction : 0.000000

Neg data

OPReactantPairId: 1877, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2+:21][CH:20](C)[NH:10]C.CC[NH2+]C(C)NC

OrbPairId : 1900, Prediction : 0.000000

Neg data

OPReactantPairId: 2119, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C=C[C:20](=[OH+:21])N.C=CC(=[OH+])N.[OH2:10].O

OrbPairId : 2157, Prediction : 0.000000

Neg data

OPReactantPairId: 1692, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C=C)([OH:10])[O:21]C(=O)C.CCOC(C=C)(O)OC(=O)C

OrbPairId : 1702, Prediction : 0.000000

Neg data

OPReactantPairId: 1884, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C=C[C:20](=[O:21])Cl.C=CC(=O)Cl

OrbPairId : 1909, Prediction : 0.000000

Neg data

OPReactantPairId: 3409, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.[CH:11]1=[CH:10]C2=CC=C(C=C2C=C1)C(F)(F)F.C1=CC2=CC=C(C=C2C=C1)C(F)(F)F

OrbPairId : 4004, Prediction : 0.000000
C[CH+:20]C.C[CH+]C.C1=CC2=CC=C(C=C2[CH:10]=[CH:11]1)C(F)(F)F.C1=CC2=CC=C(C=C2C=C1)C(F)(F)F

OrbPairId : 4007, Prediction : 0.000000

Neg data

OPReactantPairId: 2042, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20]1(C[OH+:21]1)C.CCC1(C[OH+]1)C.[OH2:10].O

OrbPairId : 2076, Prediction : 0.000000

Neg data

OPReactantPairId: 3788, ReactionConditionsId: 5

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([O-:10])[O:21]C.CC([O-])OC

OrbPairId : 4428, Prediction : 0.000000

Neg data

OPReactantPairId: 1696, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2+:21][CH:20](C)[O:10]C.CC[NH2+]C(C)OC

OrbPairId : 1706, Prediction : 0.000000

Neg data

OPReactantPairId: 1711, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CC(=O)OC(=O)CC[C:20](=[OH+:21])Cl.CC(=O)OC(=O)CCC(=[OH+])Cl

OrbPairId : 1722, Prediction : 0.000000

Neg data

OPReactantPairId: 1670, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:10][C:20](C)(C)[Br:21].CCOC(C)(C)Br

OrbPairId : 1677, Prediction : 0.000000

Neg data

OPReactantPairId: 2165, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])N(C)C.CN(C)C(=O)CC(=O)CC1=CC=CC=C1.[NH2-:10].[NH2-]

OrbPairId : 2208, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)N(C)C.CN(C)C(=O)CC(=O)CC1=CC=CC=C1.[NH2-:10].[NH2-]

OrbPairId : 2210, Prediction : 0.000000

Neg data

OPReactantPairId: 3728, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[C-:10]([C:20](C=C1)(O)[Cl:21])[N+](=O)[O-].C1=C[C-](C(C=C1)(O)Cl)[N+](=O)[O-]

OrbPairId : 4360, Prediction : 0.000000

Neg data

OPReactantPairId: 2040, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC1(C[O:10]1)C.CCC1(CO1)C.[OH3+]

OrbPairId : 2074, Prediction : 0.000000

Neg data

OPReactantPairId: 2472, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC(O)[OH:10].CCC(O)O.[OH3+]

OrbPairId : 2551, Prediction : 0.000000

Neg data

OPReactantPairId: 2046, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]CC=CO.C(C=CO)[OH2+].[OH2:10].O

OrbPairId : 2080, Prediction : 0.000000

Neg data

OPReactantPairId: 1839, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CCO[C:20](=[O:21])C.CCOC(=O)C

OrbPairId : 1860, Prediction : 0.000000

Neg data

OPReactantPairId: 2979, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(=CBr)C.CC(=CBr)[OH2+].[OH2:10].O

OrbPairId : 3111, Prediction : 0.000000

Neg data

OPReactantPairId: 1672, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.C1=CC=C(C=C1)[NH2:10].C1=CC=C(C=C1)N

OrbPairId : 1679, Prediction : 0.000000

Neg data

OPReactantPairId: 3377, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=CC(=C2)[N+](=O)[O-])C(C)C.CC(C)C1[CH+]C=CC2=C1C=CC(=C2)[N+](=O)[O-].[F-:10].[F-]

OrbPairId : 3968, Prediction : 0.000000

Neg data

OPReactantPairId: 1867, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21](C)C(C)(CC)C(C)Br.CCC(C)(C(C)Br)[OH+]C.[Br-:10].[Br-]

OrbPairId : 1890, Prediction : 0.000000

Neg data

OPReactantPairId: 2585, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](NC)([O-:10])[O:21]C(=O)CCC=O.CC(NC)([O-])OC(=O)CCC=O

OrbPairId : 2678, Prediction : 0.000000

Neg data

OPReactantPairId: 2146, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)[N+](=O)[O-].C1=CC=C(C=C1)CC(=O)C[N+](=O)[O-].[NH2-:10].[NH2-]

OrbPairId : 2187, Prediction : 0.000000

Neg data

OPReactantPairId: 3419, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1O)C(C)C.CC(C)C1C=CC=C[C+]1O.[F-:10].[F-]

OrbPairId : 4018, Prediction : 0.000000

Neg data

OPReactantPairId: 3193, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]C1=CC=CC=C1.C1=CC=C(C=C1)O

OrbPairId : 3577, Prediction : 0.000000

Neg data

OPReactantPairId: 2790, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C=C)([O-:10])[O:21]C(=O)C.CCOC(C=C)([O-])OC(=O)C

OrbPairId : 3309, Prediction : 0.000000

Neg data

OPReactantPairId: 2780, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].CC=C[CH2:20][Cl:21].CC=CCCl

OrbPairId : 2888, Prediction : 0.000000

Neg data

OPReactantPairId: 1682, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C)([NH3+:21])[OH:10].CCNC(C)([NH3+])O

OrbPairId : 1692, Prediction : 0.000000

Neg data

OPReactantPairId: 3191, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH2:21][C:22](=[O:23])OC.CC(=O)OC

OrbPairId : 3575, Prediction : 0.000000

Neg data

OPReactantPairId: 3306, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)O[C+:20]=O.C1=CC=C(C=C1)O[C+]=O.[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)OC(=O)Cl.C1=CC=C(C=C1)OC(=O)Cl

OrbPairId : 3839, Prediction : 0.000000
C1=CC=C(C=C1)O[C+:20]=O.C1=CC=C(C=C1)O[C+]=O.C1=C[CH:10]=[C:11](C=C1)OC(=O)Cl.C1=CC=C(C=C1)OC(=O)Cl

OrbPairId : 3840, Prediction : 0.000000

Neg data

OPReactantPairId: 2782, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC#C[C:20](C)([O-:10])[O:21]C(=O)C.CC#CC(C)([O-])OC(=O)C

OrbPairId : 2890, Prediction : 0.000000

Neg data

OPReactantPairId: 2589, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)C.CC(=O)O.C[NH2:10].CN

OrbPairId : 2682, Prediction : 0.000000

Neg data

OPReactantPairId: 3197, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[C-:10]#CCO.[C-]#CCO.[OH3+]

OrbPairId : 3581, Prediction : 0.000000

Neg data

OPReactantPairId: 3304, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[CH:10]=[C:11](C=C1)CCCC[C+:20]=O.C1=CC=C(C=C1)CCCC[C+]=O

OrbPairId : 3836, Prediction : 0.000000

Neg data

OPReactantPairId: 1489, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CC(C)[CH:11]=[CH2:10].CC(C)C=C.Br

OrbPairId : 1483, Prediction : 0.000000

Neg data

OPReactantPairId: 1739, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:13]1=[C:12]2C=CC=C[C:11]2=[CH:10]C=C1.CC1=C2C=CC=CC2=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 1752, Prediction : 0.000000

Neg data

OPReactantPairId: 1871, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.[CH2:20]=[CH:21][C:22](=[OH+:23])N.C=CC(=[OH+])N

OrbPairId : 1894, Prediction : 0.000000

Neg data

OPReactantPairId: 2784, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)N)N=NC2=CC=CC=C2.C1=CC=C(C=C1)N=NC2C=C[C+](C=C2)N.[Cl-:10].[Cl-]

OrbPairId : 2892, Prediction : 0.000000

Neg data

OPReactantPairId: 3186, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CCCC(=O)OCC.CCOC(=O)CCCO

OrbPairId : 3568, Prediction : 0.000000

Neg data

OPReactantPairId: 2597, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[O:21].CC=O.C[C:11](=[CH2:10])[O-:12].CC(=C)[O-]

OrbPairId : 2691, Prediction : 0.000000

Neg data

OPReactantPairId: 3590, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)CC(=O)CC1=CC=CC=C1.C1=CC=C(C=C1)CC(=O)CC(=O)O.[OH-:10].[OH-]

OrbPairId : 4206, Prediction : 0.000000

Neg data

OPReactantPairId: 3181, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CCCC(=O)OC(=O)C.CC(=O)OC(=O)CCCO

OrbPairId : 3560, Prediction : 0.000000

Neg data

OPReactantPairId: 2016, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21]([CH+:22]C)Br.C[CH+]CBr.[OH2:10].O

OrbPairId : 2048, Prediction : 0.000000
C[CH+:20]CBr.C[CH+]CBr.[OH2:10].O

OrbPairId : 2049, Prediction : 0.000000

Neg data

OPReactantPairId: 2620, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[O:21].CC=O.[C-:10]#N.[C-]#N

OrbPairId : 3697, Prediction : 0.000000

Neg data

OPReactantPairId: 3183, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CBr.C(O)Br

OrbPairId : 3564, Prediction : 0.000000

Neg data

OPReactantPairId: 1594, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1[CH:20]([OH+:21]1)CCCCCO.C1C([OH+]1)CCCCCO.C1C(O1)CCCCC[OH:10].C1C(O1)CCCCCO

OrbPairId : 1594, Prediction : 0.000000

Neg data

OPReactantPairId: 1499, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C+:20](C)CC.CC[C+](C)CC.[Br-:10].[Br-]

OrbPairId : 1494, Prediction : 0.000000

Neg data

OPReactantPairId: 1729, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C=C[C+:22]1OCC)Br)Br.CCO[C+]1C=CC(=CC1Br)Br.[Br-:10].[Br-]

OrbPairId : 1742, Prediction : 0.000000

Neg data

OPReactantPairId: 3185, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH2:21][CH:22]=[CH:23][C:24](=[O:25])C.CC=CC(=O)C

OrbPairId : 3567, Prediction : 0.000000

Neg data

OPReactantPairId: 2599, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH2:20][Br:21].CCCBr.[C-:10]#N.[C-]#N

OrbPairId : 2693, Prediction : 0.000000

Neg data

OPReactantPairId: 1532, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:10][CH:11]([CH+:20]C)OC.C[CH+]COC

OrbPairId : 1528, Prediction : 0.000000

Neg data

OPReactantPairId: 3338, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]OC1=CC=CC=C1.C[CH+]OC1=CC=CC=C1.C=CO[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.C=COC1=CC=CC=C1

OrbPairId : 3923, Prediction : 0.000000
C[CH+:20]OC1=CC=CC=C1.C[CH+]OC1=CC=CC=C1.C=CO[C:11]1=[CH:10]C=CC=C1.C=COC1=CC=CC=C1

OrbPairId : 3924, Prediction : 0.000000

Neg data

OPReactantPairId: 2060, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[CH:10]#[C:11]C1=CC=CC=C1.C#CC1=CC=CC=C1.[OH3+]

OrbPairId : 2095, Prediction : 0.000000

Neg data

OPReactantPairId: 2792, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH2-:10]C1=NC=CC=C1.[CH2-]C1=NC=CC=C1.[CH2:20]=[O:21].C=O

OrbPairId : 2901, Prediction : 0.000000

Neg data

OPReactantPairId: 1962, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:22]=[CH:23][C+:24](C(=C1)Br)NC(=O)CC)Br.CCC(=O)N[C+]1C=CC(C=C1Br)Br.[Br-:10].[Br-]

OrbPairId : 1990, Prediction : 0.000000

Neg data

OPReactantPairId: 1965, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=CCCCCO.C(CCO)CC=[OH+].[OH2:10].O

OrbPairId : 1993, Prediction : 0.000000

Neg data

OPReactantPairId: 3098, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21](C)(C)[C+:22](C)CC.CC[C+](C)C(C)C.CC(C)(C)[OH:10].CC(C)(C)O

OrbPairId : 3412, Prediction : 0.000000
CC[C+:20](C)C(C)C.CC[C+](C)C(C)C.CC(C)(C)[OH:10].CC(C)(C)O

OrbPairId : 3414, Prediction : 0.000000

Neg data

OPReactantPairId: 1800, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.[CH2:20]=[CH:21][CH:22]=[O:23].C=CC=O

OrbPairId : 1818, Prediction : 0.000000

Neg data

OPReactantPairId: 3314, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CCC(=O)O[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CCC(=O)OC1=CC=CC=C1.C[CH+:20]C.C[CH+]C

OrbPairId : 3864, Prediction : 0.000000
CCC(=O)O[C:11]1=[CH:10]C=CC=C1.CCC(=O)OC1=CC=CC=C1.C[CH+:20]C.C[CH+]C

OrbPairId : 3865, Prediction : 0.000000

Neg data

OPReactantPairId: 2776, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[OH:10].CO.C1=CC=C(C=C1)[C:20](=[O:21])Cl.C1=CC=C(C=C1)C(=O)Cl

OrbPairId : 2884, Prediction : 0.000000

Neg data

OPReactantPairId: 2068, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21](C)(C)[C+:22]1CCCC1.CC(C)[C+]1CCCC1.[OH2:10].O

OrbPairId : 2104, Prediction : 0.000000
CC(C)[C+:20]1CCCC1.CC(C)[C+]1CCCC1.[OH2:10].O

OrbPairId : 2105, Prediction : 0.000000

Neg data

OPReactantPairId: 2012, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20]=C.C[C+]=C.[OH2:10].O

OrbPairId : 2044, Prediction : 0.000000

Neg data

OPReactantPairId: 1615, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10][CH:20](C)[OH2+:21].CCNC(C)[OH2+]

OrbPairId : 1615, Prediction : 0.000000

Neg data

OPReactantPairId: 3054, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](C)(CC)[N+:23](C)(C)C.CCC(C)(C)[N+](C)(C)C.[OH-:10].[OH-]

OrbPairId : 3194, Prediction : 0.000000

Neg data

OPReactantPairId: 2014, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(=C)C.CC(=C)[OH2+].[OH2:10].O

OrbPairId : 2046, Prediction : 0.000000

Neg data

OPReactantPairId: 3111, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
CC1[CH:20]([O:21]1)CCC[O-:10].CC1C(O1)CCC[O-]

OrbPairId : 3469, Prediction : 0.000000

Neg data

OPReactantPairId: 2018, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[C:1]#[N:10].CCC#N.[OH3+]

OrbPairId : 3880, Prediction : 0.000000

Neg data

OPReactantPairId: 2094, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]([NH2+:21]C)(O)[OH:10].CC([NH2+]C)(O)O

OrbPairId : 2131, Prediction : 0.000000

Neg data

OPReactantPairId: 2094, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]([NH2+:21]C)(O)[OH:10].CC([NH2+]C)(O)O

OrbPairId : 3758, Prediction : 0.000000

Neg data

OPReactantPairId: 2078, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1CC[C:20]2(C(C1)CCC[NH2+:21]2)[OH:10].C1CCC2(C(C1)CCC[NH2+]2)O

OrbPairId : 3756, Prediction : 0.000000

Neg data

OPReactantPairId: 2078, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1CC[C:20]2(C(C1)CCC[NH2+:21]2)[OH:10].C1CCC2(C(C1)CCC[NH2+]2)O

OrbPairId : 2115, Prediction : 0.000000

Neg data

OPReactantPairId: 3724, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])CCC(=O)C.CC(=O)CCC(=O)C.[OH-:10].[OH-]

OrbPairId : 4356, Prediction : 0.000000

Neg data

OPReactantPairId: 2125, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH2:21].CC1=CC=C[C-:10]=C1N.CC1=CC=C[C-]=C1N.N

OrbPairId : 2164, Prediction : 0.000000

Neg data

OPReactantPairId: 3230, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)C(=O)O[C:11]2=[CH:10]C=C(C=C2Br)Br.C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2Br)Br.[Br:20][Br:21].BrBr

OrbPairId : 3645, Prediction : 0.000000

Neg data

OPReactantPairId: 2127, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])Cl.CC(=O)Cl.[NH2-:10].[NH2-]

OrbPairId : 2166, Prediction : 0.000000

Neg data

OPReactantPairId: 1615, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10][CH:20](C)[OH2+:21].CCNC(C)[OH2+]

OrbPairId : 2314, Prediction : 0.000000

Neg data

OPReactantPairId: 3726, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1[C:22](=[O:23])CCC1(C)O.CC1(CCC(=O)C1)O.[OH-:10].[OH-]

OrbPairId : 4358, Prediction : 0.000000

Neg data

OPReactantPairId: 2121, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C=CC([NH2:10])(O)O.C=CC(N)(O)O.[OH3+]

OrbPairId : 2159, Prediction : 0.000000

Neg data

OPReactantPairId: 3368, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]([NH2+:21]C(CC1=CC=CC=C1)C(=O)O)(O)[OH:10].CC([NH2+]C(CC1=CC=CC=C1)C(=O)O)(O)O

OrbPairId : 3956, Prediction : 0.000000

Neg data

OPReactantPairId: 2076, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C12CCCCC1CCCN2.C1CCC2(C(C1)CCCN2)[OH2+].[OH2:10].O

OrbPairId : 2113, Prediction : 0.000000

Neg data

OPReactantPairId: 1806, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1CCCC([C:22]1=[N+:23]2CCCC2)C.CC1CCCCC1=[N+]2CCCC2.C1CC[NH:10]C1.C1CCNC1

OrbPairId : 1824, Prediction : 0.000000

Neg data

OPReactantPairId: 2076, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C12CCCCC1CCCN2.C1CCC2(C(C1)CCCN2)[OH2+].[OH2:10].O

OrbPairId : 3749, Prediction : 0.000000

Neg data

OPReactantPairId: 3649, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC1C(=O)CCC2(C1(CCCC2)[O-:10])C.CC1C(=O)CCC2(C1(CCCC2)[O-])C

OrbPairId : 4271, Prediction : 0.000000

Neg data

OPReactantPairId: 3706, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])N(CC)CC.CCN(CC)C(=O)C.[OH-:10].[OH-]

OrbPairId : 4338, Prediction : 0.000000

Neg data

OPReactantPairId: 3101, ReactionConditionsId: 1

NumPos: 3, numNeg: 0, Link

Pos data
[H:20][CH:21]1CCC(C[C+:22]1C)CC.CCC1CCC[C+](C1)C.CC[OH:10].CCO

OrbPairId : 3422, Prediction : 0.000000
[H:20][CH:21]1C(CCC[C+:22]1C)CC.CCC1CCC[C+](C1)C.CC[OH:10].CCO

OrbPairId : 3423, Prediction : 0.000000
CCC1CCC[C+:20](C1)C.CCC1CCC[C+](C1)C.CC[OH:10].CCO

OrbPairId : 3424, Prediction : 0.000000

Neg data

OPReactantPairId: 1879, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C1=CC=CC=C1.C[CH+]C1=CC=CC=C1.C=C[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.C=CC1=CC=CC=C1

OrbPairId : 3961, Prediction : 0.000000
C[CH+:20]C1=CC=CC=C1.C[CH+]C1=CC=CC=C1.C=C[C:11]1=[CH:10]C=CC=C1.C=CC1=CC=CC=C1

OrbPairId : 3962, Prediction : 0.000000

Neg data

OPReactantPairId: 1879, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C1=CC=CC=C1.C[CH+]C1=CC=CC=C1.C=C[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.C=CC1=CC=CC=C1

OrbPairId : 1903, Prediction : 0.000000
C[CH+:20]C1=CC=CC=C1.C[CH+]C1=CC=CC=C1.C=C[C:11]1=[CH:10]C=CC=C1.C=CC1=CC=CC=C1

OrbPairId : 1904, Prediction : 0.000000

Neg data

OPReactantPairId: 2101, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C+:20](C)CC.CC[C+](C)CC.[OH2:10].O

OrbPairId : 2138, Prediction : 0.000000

Neg data

OPReactantPairId: 3096, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C+:22](C)C1=CC=CC=C1.CC[C+](C)C1=CC=CC=C1.CC[OH:10].CCO

OrbPairId : 3404, Prediction : 0.000000
CC[C+:20](C)C1=CC=CC=C1.CC[C+](C)C1=CC=CC=C1.CC[OH:10].CCO

OrbPairId : 3405, Prediction : 0.000000

Neg data

OPReactantPairId: 3485, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:10]=[C:11](CCC1CCCC[C:20]1=[O:21])[O-:12].C=C(CCC1CCCCC1=O)[O-]

OrbPairId : 4090, Prediction : 0.000000

Neg data

OPReactantPairId: 3704, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CCC(C(C)C=O)[O-:10].CCC(C(C)C=O)[O-].O

OrbPairId : 4335, Prediction : 0.000000

Neg data

OPReactantPairId: 1733, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)C[C:20](C)(C)[OH2+:21].CC(=O)CC(C)(C)[OH2+]

OrbPairId : 1746, Prediction : 0.000000

Neg data

OPReactantPairId: 3094, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C1=CC=CC=C1)[CH:20](C)[Br:21].CC(C1=CC=CC=C1)C(C)Br

OrbPairId : 3402, Prediction : 0.000000

Neg data

OPReactantPairId: 3659, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC=C[CH2:20][Br:21].CC=CCBr.[OH-:10].[OH-]

OrbPairId : 4281, Prediction : 0.000000

Neg data

OPReactantPairId: 3092, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20](C1=CC=CC=C1)[Br:21].CC(C1=CC=CC=C1)Br

OrbPairId : 3383, Prediction : 0.000000

Neg data

OPReactantPairId: 2352, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCNC(C)(C)[O-:10].CCNC(C)(C)[O-].[OH3+]

OrbPairId : 2417, Prediction : 0.000000

Neg data

OPReactantPairId: 3204, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21](C1=CC=CC=C1)C(C)([O-])OC(=O)C.CC(=O)[O-:10].CC(=O)[O-].CC(=O)OC(C)([O-])[OH+]C1=CC=CC=C1

OrbPairId : 3590, Prediction : 0.000000

Neg data

OPReactantPairId: 2131, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)(CC)[N+](=O)[O-].CCC(C)[N+](=O)[O-].[NH2-:10].[NH2-]

OrbPairId : 2170, Prediction : 0.000000

Neg data

OPReactantPairId: 1992, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21](C)(C)[C+:22](C)C.CC(C)[C+](C)C.[OH2:10].O

OrbPairId : 2023, Prediction : 0.000000
CC(C)[C+:20](C)C.CC(C)[C+](C)C.[OH2:10].O

OrbPairId : 2024, Prediction : 0.000000

Neg data

OPReactantPairId: 3487, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:10]=[CH:11][O-:12].CC=C[O-].C[CH:20]=[O:21].CC=O

OrbPairId : 4091, Prediction : 0.000000

Neg data

OPReactantPairId: 2280, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1C[C:20](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)([OH:10])[OH+:21]CCO.C1CC(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)(O)[OH+]CCO

OrbPairId : 2339, Prediction : 0.000000

Neg data

OPReactantPairId: 2092, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)N(C)C.CC(N(C)C)[OH2+].[OH2:10].O

OrbPairId : 3899, Prediction : 0.000000

Neg data

OPReactantPairId: 3258, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.CC(C)(C)[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CC(C)(C)C1=CC=CC=C1

OrbPairId : 3699, Prediction : 0.000000

Neg data

OPReactantPairId: 2137, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]=[C:22](C)[Br:23].CC(=C)Br.[NH2-:10].[NH2-]

OrbPairId : 2176, Prediction : 0.000000

Neg data

OPReactantPairId: 1513, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[CH:20](C)[OH2+:21].CC(C)C(C)[OH2+]

OrbPairId : 2392, Prediction : 0.000000

Neg data

OPReactantPairId: 1513, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[CH:20](C)[OH2+:21].CC(C)C(C)[OH2+]

OrbPairId : 1508, Prediction : 0.000000

Neg data

OPReactantPairId: 1603, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:10][CH:11]([CH+:20]C)O.C[CH+]CO

OrbPairId : 1603, Prediction : 0.000000

Neg data

OPReactantPairId: 2282, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C1CCC(CC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.C1CC(=[OH+])CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[OH2:10].O

OrbPairId : 2341, Prediction : 0.000000

Neg data

OPReactantPairId: 1521, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1(CC[CH+:20][C:11]1(C)[CH3:10])C.CC1(CC[CH+]C1(C)C)C

OrbPairId : 1515, Prediction : 0.000000

Neg data

OPReactantPairId: 2285, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20](CC(C)O)[OH2+:21].CC(CC(C)O)[OH2+]

OrbPairId : 2344, Prediction : 0.000000

Neg data

OPReactantPairId: 1727, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)OCC)Br.CCO[C+]1C=CC(C=C1)Br.[Br-:10].[Br-]

OrbPairId : 1740, Prediction : 0.000000

Neg data

OPReactantPairId: 2113, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]CC=CNC.CNC=CC[OH2+].[OH2:10].O

OrbPairId : 2151, Prediction : 0.000000

Neg data

OPReactantPairId: 3663, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)CC(=C[C:20](=[O:21])Cl)O.C1=CC=C(C=C1)CC(=CC(=O)Cl)O.[OH-:10].[OH-]

OrbPairId : 4286, Prediction : 0.000000

Neg data

OPReactantPairId: 3665, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[N+](=O)[O-].CC[N+](=O)[O-].[OH-:10].[OH-]

OrbPairId : 4289, Prediction : 0.000000

Neg data

OPReactantPairId: 1523, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20][C:11]1(CCC[CH2:10]1)C.C[CH+]C1(CCCC1)C

OrbPairId : 1518, Prediction : 0.000000
C[CH+:20][C:11]1(CCCC1)[CH3:10].C[CH+]C1(CCCC1)C

OrbPairId : 1520, Prediction : 0.000000

Neg data

OPReactantPairId: 3228, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)C(=O)O[C:13]2=[CH:12][CH:11]=[CH:10]C=C2.C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2.[Br:20][Br:21].BrBr

OrbPairId : 3642, Prediction : 0.000000
C1=CC=C(C=C1)C(=O)O[C:11]2=[CH:10]C=CC=C2.C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2.[Br:20][Br:21].BrBr

OrbPairId : 3643, Prediction : 0.000000

Neg data

OPReactantPairId: 1501, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:10][C:11](C)(C)[CH+:20]C.C[CH+]C(C)C

OrbPairId : 2393, Prediction : 0.000000

Neg data

OPReactantPairId: 1501, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:10][C:11](C)(C)[CH+:20]C.C[CH+]C(C)C

OrbPairId : 1496, Prediction : 0.000000

Neg data

OPReactantPairId: 3732, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC[CH:20](C)[Br:21].CCC(C)Br.[OH-:10].[OH-]

OrbPairId : 4364, Prediction : 0.000000
[H:20][CH:21](C)[CH:22](C)[Br:23].CCC(C)Br.[OH-:10].[OH-]

OrbPairId : 4365, Prediction : 0.000000

Neg data

OPReactantPairId: 1891, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[OH+:21])C.CCOC(=[OH+])C.[OH2:10].O

OrbPairId : 3770, Prediction : 0.000000

Neg data

OPReactantPairId: 1725, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:22]=[CH:23][C+:24](C2=CC=CC=C21)Br)Br.C1=CC=C2C(=C1)C(C=C[C+]2Br)Br.[Br-:10].[Br-]

OrbPairId : 1737, Prediction : 0.000000

Neg data

OPReactantPairId: 1978, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)C=C.CC(C=C)[OH2+].[OH2:10].O

OrbPairId : 2007, Prediction : 0.000000

Neg data

OPReactantPairId: 1525, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1(CCC[CH+:20][C:11]1(C)[CH3:10])C.CC1(CCC[CH+]C1(C)C)C

OrbPairId : 1521, Prediction : 0.000000

Neg data

OPReactantPairId: 3493, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1CC[C:20]2([CH:10]=[C:11](CCC2C1)[O-:12])[OH:21].C1CCC2(C=C(CCC2C1)[O-])O

OrbPairId : 4099, Prediction : 0.000000

Neg data

OPReactantPairId: 1856, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](CCC(=O)NC)([OH:10])OC.CC[OH+]C(CCC(=O)NC)(O)OC

OrbPairId : 1877, Prediction : 0.000000

Neg data

OPReactantPairId: 3708, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH3:20][Br:21].CBr.[OH-:10].[OH-]

OrbPairId : 4340, Prediction : 0.000000

Neg data

OPReactantPairId: 1608, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]CCCC[C:11]1=[CH:10]C=CC=C1.C[CH+]CCCCC1=CC=CC=C1

OrbPairId : 1608, Prediction : 0.000000

Neg data

OPReactantPairId: 1608, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]CCCC[C:11]1=[CH:10]C=CC=C1.C[CH+]CCCCC1=CC=CC=C1

OrbPairId : 3993, Prediction : 0.000000

Neg data

OPReactantPairId: 3080, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20](C(C)(C)C)[Br:21].CC(C(C)(C)C)Br

OrbPairId : 3322, Prediction : 0.000000

Neg data

OPReactantPairId: 2103, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[C:10](=[C:11](C)CC)C.CCC(=C(C)CC)C.[OH3+]

OrbPairId : 2140, Prediction : 0.000000

Neg data

OPReactantPairId: 2183, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[NH:10]C(C)(C)O.CCNC(C)(C)O.[OH3+]

OrbPairId : 2228, Prediction : 0.000000

Neg data

OPReactantPairId: 3139, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CCCCBr.C(CCBr)CO

OrbPairId : 3505, Prediction : 0.000000

Neg data

OPReactantPairId: 2183, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCNC(C)(C)[OH:10].CCNC(C)(C)O.[OH3+]

OrbPairId : 2418, Prediction : 0.000000

Neg data

OPReactantPairId: 3573, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)[CH:20]([CH:10]=[CH:11][O-:12])[OH:21].C1=CC=C(C=C1)C(C=C[O-])O

OrbPairId : 4187, Prediction : 0.000000

Neg data

OPReactantPairId: 2528, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCN(CC)C(C)(C#CC)[OH:10].CCN(CC)C(C)(C#CC)O.[OH3+]

OrbPairId : 2616, Prediction : 0.000000

Neg data

OPReactantPairId: 1478, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20]=C.C[C+]=C.[Br-:10].[Br-]

OrbPairId : 1467, Prediction : 0.000000

Neg data

OPReactantPairId: 1624, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.[CH2:20]=[CH:21][C:22]#[NH+:23].C=CC#[NH+]

OrbPairId : 1625, Prediction : 0.000000

Neg data

OPReactantPairId: 2552, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=C[C:20](=[O:21])Cl)O.C1=CC=C(C=C1)CC(=CC(=O)Cl)O

OrbPairId : 2641, Prediction : 0.000000

Neg data

OPReactantPairId: 2552, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=C[C:20](=[O:21])Cl)O.C1=CC=C(C=C1)CC(=CC(=O)Cl)O

OrbPairId : 3278, Prediction : 0.000000

Neg data

OPReactantPairId: 2117, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[CH+:20]C1=CC=CC=C1.CC(C)[CH+]C1=CC=CC=C1.[OH2:10].O

OrbPairId : 2155, Prediction : 0.000000

Neg data

OPReactantPairId: 1721, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1[CH:20]([OH+:21]1)CO.C1C([OH+]1)CO.C1C(O1)C[OH:10].C1C(O1)CO

OrbPairId : 1733, Prediction : 0.000000

Neg data

OPReactantPairId: 2111, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[N:10]=CC=C.CN=CC=C.[OH3+]

OrbPairId : 2149, Prediction : 0.000000

Neg data

OPReactantPairId: 3661, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC([CH:20](C)[Br:21])Br.CC(C(C)Br)Br.[OH-:10].[OH-]

OrbPairId : 4283, Prediction : 0.000000
[H:20][C:21](C)([CH:22](C)[Br:23])Br.CC(C(C)Br)Br.[OH-:10].[OH-]

OrbPairId : 4284, Prediction : 0.000000

Neg data

OPReactantPairId: 3014, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[N:10](C)CC.CCN(C)CC.[CH3:20][I:21].CI

OrbPairId : 3148, Prediction : 0.000000

Neg data

OPReactantPairId: 2191, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:11]=[CH:10][CH2+:20].CC=C[CH2+]

OrbPairId : 2237, Prediction : 0.000000

Neg data

OPReactantPairId: 1627, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[NH+:23]=[CH:22][CH:21]=[CH2:20].C[NH+]=CC=C

OrbPairId : 1628, Prediction : 0.000000

Neg data

OPReactantPairId: 3604, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:20]=[CH:21][C:22](=[O:23])N.C=CC(=O)N.C=C[C:11](=[NH:10])[O-:12].C=CC(=N)[O-]

OrbPairId : 4223, Prediction : 0.000000

Neg data

OPReactantPairId: 2129, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[C:20](=[N:21]C=C1)Cl.C1=CC(=NC=C1)Cl.[NH2-:10].[NH2-]

OrbPairId : 2168, Prediction : 0.000000

Neg data

OPReactantPairId: 1551, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10]CC.CCNCC.CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C

OrbPairId : 1547, Prediction : 0.000000

Neg data

OPReactantPairId: 3647, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C:22](=[O:23])CCC1(CCCCC1=O)C.CCC(=O)CCC1(CCCCC1=O)C.CC[O-:10].CC[O-]

OrbPairId : 4269, Prediction : 0.000000

Neg data

OPReactantPairId: 2881, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC(C)(O)[OH:10].CCC(C)(O)O.[OH3+]

OrbPairId : 3003, Prediction : 0.000000

Neg data

OPReactantPairId: 1787, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:22]=[CH:23][C+:24](C(=C1)Br)OC(=O)CC)Br.CCC(=O)O[C+]1C=CC(C=C1Br)Br.[Br-:10].[Br-]

OrbPairId : 1805, Prediction : 0.000000

Neg data

OPReactantPairId: 2526, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCN(CC)C(C)(C#CC)[O-:10].CCN(CC)C(C)(C#CC)[O-].[OH3+]

OrbPairId : 2613, Prediction : 0.000000

Neg data

OPReactantPairId: 3645, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:22](=[O:23])[CH:21]=[CH2:20].CCC(=O)C=C.C[C:10]1=[C:11](CCCC1)[O-:12].CC1=C(CCCC1)[O-]

OrbPairId : 4267, Prediction : 0.000000

Neg data

OPReactantPairId: 2578, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1C(=O)CC[C:22]1=[O:23].C[O-:10].C[O-].C1CC(=O)CC1=O

OrbPairId : 2670, Prediction : 0.000000

Neg data

OPReactantPairId: 2187, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20](C=C)[OH2+:21].CC(C=C)[OH2+]

OrbPairId : 2232, Prediction : 0.000000

Neg data

OPReactantPairId: 2578, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1C(=O)CC[C:22]1=[O:23].C[O-:10].C[O-].C1CC(=O)CC1=O

OrbPairId : 3462, Prediction : 0.000000

Neg data

OPReactantPairId: 3137, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C1[CH:20]([O:21]1)CCC[O-:10].C1C(O1)CCC[O-]

OrbPairId : 3503, Prediction : 0.000000

Neg data

OPReactantPairId: 3571, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.C1=CC=C(C=C1)C(CC=O)[O-:10].C1=CC=C(C=C1)C(CC=O)[O-]

OrbPairId : 4185, Prediction : 0.000000

Neg data

OPReactantPairId: 1622, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[CH:20]=[NH+:21]C.CC=[NH+]C

OrbPairId : 1622, Prediction : 0.000000

Neg data

OPReactantPairId: 2185, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.C[C:10](=[C:11](C)[O-:12])C.CC(=C(C)[O-])C

OrbPairId : 2230, Prediction : 0.000000

Neg data

OPReactantPairId: 2185, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.C[C:10](=[C:11](C)[O-:12])C.CC(=C(C)[O-])C

OrbPairId : 3254, Prediction : 0.000000

Neg data

OPReactantPairId: 3355, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[OH+:21])C(CC1=CC=CC=C1)(C(=O)OCC)NC(=O)C.CCOC(=[OH+])C(CC1=CC=CC=C1)(C(=O)OCC)NC(=O)C.[OH2:10].O

OrbPairId : 3943, Prediction : 0.000000

Neg data

OPReactantPairId: 1918, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)CC[CH:20]([OH2+:21])[O:10]CCO.CC(=O)CCC([OH2+])OCCO

OrbPairId : 1944, Prediction : 0.000000

Neg data

OPReactantPairId: 2986, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C=C[CH:20]1C[Br+:21]1.C=CC1C[Br+]1.[OH2:10].O

OrbPairId : 3118, Prediction : 0.000000

Neg data

OPReactantPairId: 1942, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6]2C=CC=CC2=C([C+:22]1OC)Br)Br.CO[C+]1C(C=C2C=CC=CC2=C1Br)Br.[Br-:10].[Br-]

OrbPairId : 1969, Prediction : 0.000000

Neg data

OPReactantPairId: 3653, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][N+](=O)[O-].C[N+](=O)[O-].[OH-:10].[OH-]

OrbPairId : 4275, Prediction : 0.000000

Neg data

OPReactantPairId: 1476, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].C[C:10]#[C:11]C.CC#CC.Br

OrbPairId : 1472, Prediction : 0.000000

Neg data

OPReactantPairId: 2546, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCC[CH2:20][Br:21].CCCCBr.C(C[O-:10])[O-].C(C[O-])[O-]

OrbPairId : 2634, Prediction : 0.000000

Neg data

OPReactantPairId: 3252, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:13]1=[C:12]2C=CC=C[C:11]2=[CH:10]C=C1.CC1=C2C=CC=CC2=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3688, Prediction : 0.000000

Neg data

OPReactantPairId: 1940, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([C:5]2=[C:6](C=CC=C2)C=C[C+:22]1OC)Br.CO[C+]1C=CC2=C(C1Br)C=CC=C2.[Br-:10].[Br-]

OrbPairId : 1967, Prediction : 0.000000

Neg data

OPReactantPairId: 3655, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C(C)O)[N+](=O)[O-].CC(C[N+](=O)[O-])O.[OH-:10].[OH-]

OrbPairId : 4277, Prediction : 0.000000

Neg data

OPReactantPairId: 1474, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]1C[OH+:21]1.CC1C[OH+]1.[Br-:10].[Br-]

OrbPairId : 1463, Prediction : 0.000000

Neg data

OPReactantPairId: 2544, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][CH:10]=C.[Li]C=C.C1=C[CH:20]=[N:21]C=C1.C1=CC=NC=C1

OrbPairId : 2632, Prediction : 0.000000

Neg data

OPReactantPairId: 3018, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[NH:10]C1=CC=CC=C1.CNC1=CC=CC=C1.[CH3:20][I:21].CI

OrbPairId : 3152, Prediction : 0.000000

Neg data

OPReactantPairId: 2195, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC1(CCC[CH:20]1[OH2+:21])C.CC1(CCCC1[OH2+])C

OrbPairId : 2241, Prediction : 0.000000

Neg data

OPReactantPairId: 3561, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH:10][CH:20](C1=CC=CC=C1)[OH:21])[O-:12].CC(=CC(C1=CC=CC=C1)O)[O-]

OrbPairId : 4177, Prediction : 0.000000

Neg data

OPReactantPairId: 2648, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)C#N.CCC#N.CC[O-:10].CC[O-]

OrbPairId : 3214, Prediction : 0.000000

Neg data

OPReactantPairId: 1807, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[CH+:20]C.C[CH+]C

OrbPairId : 1825, Prediction : 0.000000

Neg data

OPReactantPairId: 3657, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CCO[C:11](=[CH:10]CC(C(=O)OCC)C(=O)OCC)[O-:12].CCOC(=CCC(C(=O)OCC)C(=O)OCC)[O-].O

OrbPairId : 4279, Prediction : 0.000000

Neg data

OPReactantPairId: 2469, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[CH2:10]=[CH:11]CO.C=CCO.[OH3+]

OrbPairId : 2547, Prediction : 0.000000

Neg data

OPReactantPairId: 2727, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[Li:11][CH:10]=CCC[O-].[Li]C=CCC[O-].[OH3+]

OrbPairId : 2830, Prediction : 0.000000

Neg data

OPReactantPairId: 2542, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:11](=[CH2:10])[O-:12].CCOC(=C)[O-].C[C:20](=[O:21])OC.CC(=O)OC

OrbPairId : 3276, Prediction : 0.000000

Neg data

OPReactantPairId: 2197, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21]1=[C:22](C=NC=C1)[Cl:23].C1=CN=CC(=C1)Cl.[NH2-:10].[NH2-]

OrbPairId : 2243, Prediction : 0.000000
[H:20][C:21]1=[C:22](C=CC=N1)[Cl:23].C1=CC(=CN=C1)Cl.[NH2-:10].[NH2-]

OrbPairId : 2245, Prediction : 0.000000

Neg data

OPReactantPairId: 2542, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:11](=[CH2:10])[O-:12].CCOC(=C)[O-].C[C:20](=[O:21])OC.CC(=O)OC

OrbPairId : 2630, Prediction : 0.000000

Neg data

OPReactantPairId: 3016, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH3:20][I:21].CI.C1=CC=C(C=C1)[NH2:10].C1=CC=C(C=C1)N

OrbPairId : 3150, Prediction : 0.000000

Neg data

OPReactantPairId: 1976, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[CH+:22]C1=CC=CC=C1.CC[CH+]C1=CC=CC=C1.[OH2:10].O

OrbPairId : 2004, Prediction : 0.000000
CC[CH+:20]C1=CC=CC=C1.CC[CH+]C1=CC=CC=C1.[OH2:10].O

OrbPairId : 2006, Prediction : 0.000000

Neg data

OPReactantPairId: 3224, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CCC(=O)[O:21][C:20](C)([O-:10])OC(=O)C.CCC(=O)OC(C)([O-])OC(=O)C

OrbPairId : 3610, Prediction : 0.000000
CCC(=O)O[C:20](C)([O-:10])[O:21]C(=O)C.CCC(=O)OC(C)([O-])OC(=O)C

OrbPairId : 3611, Prediction : 0.000000

Neg data

OPReactantPairId: 2631, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C)([O-:10])[O:21]C(=O)C.CCNC(C)([O-])OC(=O)C

OrbPairId : 3456, Prediction : 0.000000

Neg data

OPReactantPairId: 2631, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C)([O-:10])[O:21]C(=O)C.CCNC(C)([O-])OC(=O)C

OrbPairId : 2726, Prediction : 0.000000

Neg data

OPReactantPairId: 3677, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C[C:20](=[O:21])OC(=O)C=C.CC(=O)OC(=O)C=C.[OH-:10].[OH-]

OrbPairId : 4305, Prediction : 0.000000
CC(=O)O[C:20](=[O:21])C=C.CC(=O)OC(=O)C=C.[OH-:10].[OH-]

OrbPairId : 4307, Prediction : 0.000000

Neg data

OPReactantPairId: 3226, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:11]1=[CH:10]C=C(C(=C1)[N+](=O)[O-])Br.COC1=CC=C(C(=C1)[N+](=O)[O-])Br.[Br:20][Br:21].BrBr

OrbPairId : 3636, Prediction : 0.000000

Neg data

OPReactantPairId: 1974, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC([NH2:10])(O)O.CC(N)(O)O.[OH3+]

OrbPairId : 2002, Prediction : 0.000000

Neg data

OPReactantPairId: 2633, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=[N+]1CCCC1)C[C:20](C)([O-:10])[O:21]C(=O)C=C.CC(=[N+]1CCCC1)CC(C)([O-])OC(=O)C=C

OrbPairId : 2730, Prediction : 0.000000

Neg data

OPReactantPairId: 2988, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CBr)C(C)C.CC(C)C(CBr)[OH2+].[OH2:10].O

OrbPairId : 3120, Prediction : 0.000000

Neg data

OPReactantPairId: 2633, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=[N+]1CCCC1)C[C:20](C)([O-:10])[O:21]C(=O)C=C.CC(=[N+]1CCCC1)CC(C)([O-])OC(=O)C=C

OrbPairId : 3487, Prediction : 0.000000

Neg data

OPReactantPairId: 3754, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCCC[C:22]1=[O:23])C.CC1CCCCC1=O.[OH-:10].[OH-]

OrbPairId : 4389, Prediction : 0.000000

Neg data

OPReactantPairId: 2653, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C1=CC(=C(C=C1)[N+](=O)[O-])F)[CH:22](C)[Br:23].CC[O-:10].CC[O-].CC(CC1=CC(=C(C=C1)[N+](=O)[O-])F)Br

OrbPairId : 2750, Prediction : 0.000000

Neg data

OPReactantPairId: 3351, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])NCC(=O)O.CC(=[OH+])NCC(=O)O.[OH2:10].O

OrbPairId : 3938, Prediction : 0.000000

Neg data

OPReactantPairId: 3288, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C(C)C(=O)C)O.CC(C(=O)C)C(=[OH+])O.[OH2:10].O

OrbPairId : 3788, Prediction : 0.000000

Neg data

OPReactantPairId: 3509, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC1(C(=O)CCC1=O)C[CH:10]=[C:11]([CH2:4]CCC2=CC(=CC=C2)OC)[O-:12].CC1(C(=O)CCC1=O)CC=C(CCCC2=CC(=CC=C2)OC)[O-]

OrbPairId : 4115, Prediction : 0.000000

Neg data

OPReactantPairId: 2651, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CN(C)[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CN(C)C1=CC=CC=C1.C1=CC=C(C=C1)[N+:21]#[N:20].C1=CC=C(C=C1)[N+]#N

OrbPairId : 2748, Prediction : 0.000000

Neg data

OPReactantPairId: 3353, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC([NH:10]CC(=O)O)(O)O.CC(NCC(=O)O)(O)O.[OH3+]

OrbPairId : 3940, Prediction : 0.000000

Neg data

OPReactantPairId: 2139, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](C)(Br)[Br:23].CC(C)(Br)Br.[NH2-:10].[NH2-]

OrbPairId : 2179, Prediction : 0.000000

Neg data

OPReactantPairId: 1590, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:10]=[CH:11][OH:12].CC=CO.C[CH:20]=[OH+:21].CC=[OH+]

OrbPairId : 1590, Prediction : 0.000000

Neg data

OPReactantPairId: 2950, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)N(C)C)CC1=CC=CC=C1.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CN(C)C(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 3083, Prediction : 0.000000

Neg data

OPReactantPairId: 2621, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](CCC=C[N-]C)([NH+:21]1CCCC1)[OH:10].CC(CCC=C[N-]C)([NH+]1CCCC1)O

OrbPairId : 2715, Prediction : 0.000000

Neg data

OPReactantPairId: 1599, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[O:10][C:20](C)(C)[Br:21].CC(C)OC(C)(C)Br

OrbPairId : 1599, Prediction : 0.000000

Neg data

OPReactantPairId: 3436, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCOC(=O)C1CCC[C:20]1([O-:10])[O:21]CC.CCOC(=O)C1CCCC1([O-])OCC

OrbPairId : 4039, Prediction : 0.000000

Neg data

OPReactantPairId: 2871, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:11](=[CH2:10])[OH:12].CCC(=C)O.[Br:20][Br:21].BrBr

OrbPairId : 2994, Prediction : 0.000000

Neg data

OPReactantPairId: 3123, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[N+:23]1CCCC1)CC(=O)C.CC(=C)[N:10]1CCCC1.CC(=C)N1CCCC1.CC(=[N+]1CCCC1)CC(=O)C

OrbPairId : 3488, Prediction : 0.000000

Neg data

OPReactantPairId: 2392, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([C:11](=[CH2:10])[O-:12])[Br:21].CC(C(=C)[O-])Br

OrbPairId : 3385, Prediction : 0.000000

Neg data

OPReactantPairId: 2392, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([C:11](=[CH2:10])[O-:12])[Br:21].CC(C(=C)[O-])Br

OrbPairId : 2464, Prediction : 0.000000

Neg data

OPReactantPairId: 2952, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH:22](CC)[N+:23](C)(C)C.CCC(C)[N+](C)(C)C.[OH-:10].[OH-]

OrbPairId : 3084, Prediction : 0.000000

Neg data

OPReactantPairId: 2647, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C(C[O-:10])C(C#N)C#N.C(C[O-])C(C#N)C#N.[OH3+]

OrbPairId : 2744, Prediction : 0.000000

Neg data

OPReactantPairId: 3121, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
CC([CH2:20][Br:21])[O-:10].CC(CBr)[O-]

OrbPairId : 3482, Prediction : 0.000000

Neg data

OPReactantPairId: 1803, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[C:22](=[OH+:23])[CH:21]=[CH2:20].CC(=[OH+])C=C

OrbPairId : 1821, Prediction : 0.000000

Neg data

OPReactantPairId: 2390, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)OC)CC1=CC=CC=C1.CC[O-:10].CC[O-].COC(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 2462, Prediction : 0.000000

Neg data

OPReactantPairId: 2390, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)OC)CC1=CC=CC=C1.CC[O-:10].CC[O-].COC(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 3260, Prediction : 0.000000

Neg data

OPReactantPairId: 2851, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:10]=[CH:11][OH:12].C=CO.[Br:20][Br:21].BrBr

OrbPairId : 2967, Prediction : 0.000000

Neg data

OPReactantPairId: 2211, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C1=CC=CC=C1)[C:22](=[O:23])C(C)C.CC[O-:10].CC[O-].CC(C)C(=O)CC1=CC=CC=C1

OrbPairId : 2261, Prediction : 0.000000

Neg data

OPReactantPairId: 2396, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=C[C:21](=[C:20](C=C1)F)[N+](=O)[O-].C1=CC(=C(C=C1)F)[N+](=O)[O-]

OrbPairId : 2468, Prediction : 0.000000

Neg data

OPReactantPairId: 2370, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC=CCCC[O-:10].CC=CCCC[O-].[OH3+]

OrbPairId : 2439, Prediction : 0.000000

Neg data

OPReactantPairId: 2641, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:21][C:20](C)(CC1=CC=NC=C1)[O-:10].CCOC(C)(CC1=CC=NC=C1)[O-]

OrbPairId : 2738, Prediction : 0.000000

Neg data

OPReactantPairId: 2853, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)O.CC([OH2+])O.[OH2:10].O

OrbPairId : 2969, Prediction : 0.000000

Neg data

OPReactantPairId: 2449, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C=C(CC1=CC=CC=C1)O)([O-:10])[O:21]C(=O)C2=CC=CC=C2.CCOC(C=C(CC1=CC=CC=C1)O)([O-])OC(=O)C2=CC=CC=C2

OrbPairId : 3226, Prediction : 0.000000

Neg data

OPReactantPairId: 3679, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])Cl.CC(=O)Cl.[OH-:10].[OH-]

OrbPairId : 4308, Prediction : 0.000000

Neg data

OPReactantPairId: 2372, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:21][C:20](C)([O-:10])OCC.CCOC(C)([O-])OCC

OrbPairId : 3197, Prediction : 0.000000

Neg data

OPReactantPairId: 3222, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCC(=O)[OH:10].CCC(=O)O.CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C

OrbPairId : 3608, Prediction : 0.000000

Neg data

OPReactantPairId: 1970, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])N.CC(=[OH+])N.[OH2:10].O

OrbPairId : 3873, Prediction : 0.000000

Neg data

OPReactantPairId: 1970, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])N.CC(=[OH+])N.[OH2:10].O

OrbPairId : 1998, Prediction : 0.000000

Neg data

OPReactantPairId: 2643, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(CC1=CC=NC=C1)(CC2=CC=NC=C2)[O-:10].CC(CC1=CC=NC=C1)(CC2=CC=NC=C2)[O-].[OH3+]

OrbPairId : 2740, Prediction : 0.000000

Neg data

OPReactantPairId: 2863, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCCC1=O)[C:22](=[O:23])C.CC(=O)C1CCCC1=O.C1C[CH:10]=[C:11](C1)[O-:12].C1CC=C(C1)[O-]

OrbPairId : 2980, Prediction : 0.000000
[H:20][C:21]1(CCC[C:22]1=[O:23])C(=O)C.CC(=O)C1CCCC1=O.C1C[CH:10]=[C:11](C1)[O-:12].C1CC=C(C1)[O-]

OrbPairId : 2983, Prediction : 0.000000

Neg data

OPReactantPairId: 3440, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])C.CC(=O)C.[CH2-:10][N+](=O)[O-].[CH2-][N+](=O)[O-]

OrbPairId : 4044, Prediction : 0.000000

Neg data

OPReactantPairId: 2576, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])CC[C:11](=[CH2:10])[O-:12].CCOC(=O)CCC(=C)[O-]

OrbPairId : 3460, Prediction : 0.000000

Neg data

OPReactantPairId: 2576, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])CC[C:11](=[CH2:10])[O-:12].CCOC(=O)CCC(=C)[O-]

OrbPairId : 2668, Prediction : 0.000000

Neg data

OPReactantPairId: 2662, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]([CH:10]=[C:11](C1=CC(=CC=C1)Br)[O-:12])(C2=CC(=CC=C2)Br)[OH:21].CC(C=C(C1=CC(=CC=C1)Br)[O-])(C2=CC(=CC=C2)Br)O

OrbPairId : 2759, Prediction : 0.000000

Neg data

OPReactantPairId: 2859, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:21][C:20](C)(C1CCCC1=O)[O-:10].CCOC(C)(C1CCCC1=O)[O-]

OrbPairId : 2976, Prediction : 0.000000

Neg data

OPReactantPairId: 2382, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr

OrbPairId : 2454, Prediction : 0.000000

Neg data

OPReactantPairId: 2649, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC#[C-:10].CC#[C-].C[C:20](=[O:21])OC.CC(=O)OC

OrbPairId : 2746, Prediction : 0.000000

Neg data

OPReactantPairId: 2841, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:10]=[C:11](C)[O-:12].CC=C(C)[O-].C1[CH2:20][O:21]1.C1CO1

OrbPairId : 2952, Prediction : 0.000000

Neg data

OPReactantPairId: 2574, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])CCC(=O)OCC.CCOC(=O)CCC(=O)C.C[O-:10].C[O-]

OrbPairId : 2666, Prediction : 0.000000

Neg data

OPReactantPairId: 2841, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:10]=[C:11](C)[O-:12].CC=C(C)[O-].C1[CH2:20][O:21]1.C1CO1

OrbPairId : 3270, Prediction : 0.000000

Neg data

OPReactantPairId: 2574, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])CCC(=O)OCC.CCOC(=O)CCC(=O)C.C[O-:10].C[O-]

OrbPairId : 3459, Prediction : 0.000000

Neg data

OPReactantPairId: 2660, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])C1=CC(=CC=C1)Br)C(C)(C2=CC(=CC=C2)Br)O.CC[O-:10].CC[O-].CC(CC(=O)C1=CC(=CC=C1)Br)(C2=CC(=CC=C2)Br)O

OrbPairId : 2757, Prediction : 0.000000

Neg data

OPReactantPairId: 1931, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=C(C=C([C:11](=[CH:10]1)O)Br)Br.C1=C(C=C(C(=C1)O)Br)Br.[Br:20][Br:21].BrBr

OrbPairId : 3630, Prediction : 0.000000

Neg data

OPReactantPairId: 2666, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCOC(=O)CC(C)(NC)[O-:10].CCOC(=O)CC(C)(NC)[O-].[OH3+]

OrbPairId : 2762, Prediction : 0.000000

Neg data

OPReactantPairId: 2680, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](C)(C#N)[O-:10].CC(=O)OC(C)(C#N)[O-]

OrbPairId : 3282, Prediction : 0.000000

Neg data

OPReactantPairId: 2203, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(C)[CH:11]=[CH2:10].CC(C)C=C.[OH3+]

OrbPairId : 2252, Prediction : 0.000000

Neg data

OPReactantPairId: 2680, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](C)(C#N)[O-:10].CC(=O)OC(C)(C#N)[O-]

OrbPairId : 2777, Prediction : 0.000000

Neg data

OPReactantPairId: 2189, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC=C[CH2:20][OH2+:21].CC=CC[OH2+]

OrbPairId : 2234, Prediction : 0.000000

Neg data

OPReactantPairId: 2847, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C=C)([O-:10])[O:21]C(=O)C.CCNC(C=C)([O-])OC(=O)C

OrbPairId : 3326, Prediction : 0.000000

Neg data

OPReactantPairId: 1592, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C=O)[CH:20](C)[OH2+:21].CC(C=O)C(C)[OH2+]

OrbPairId : 1592, Prediction : 0.000000

Neg data

OPReactantPairId: 2847, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C=C)([O-:10])[O:21]C(=O)C.CCNC(C=C)([O-])OC(=O)C

OrbPairId : 2961, Prediction : 0.000000

Neg data

OPReactantPairId: 2239, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C=C)(O)Cl.C=CC([OH2+])(O)Cl.[OH2:10].O

OrbPairId : 2292, Prediction : 0.000000

Neg data

OPReactantPairId: 3072, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](CC(C(C)C)Cl)[C+:22](C)C.CC[OH:10].CCO.CC(C)C(CC[C+](C)C)Cl

OrbPairId : 3265, Prediction : 0.000000
CC[OH:10].CCO.CC(C)C(CC[C+:20](C)C)Cl.CC(C)C(CC[C+](C)C)Cl

OrbPairId : 3266, Prediction : 0.000000

Neg data

OPReactantPairId: 1731, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:11]1=[CH:10]C=C(C=C1Br)Br.CCOC1=CC=C(C=C1Br)Br.[Br:20][Br:21].BrBr

OrbPairId : 3622, Prediction : 0.000000

Neg data

OPReactantPairId: 2682, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)NC)CC1=CC=CC=C1.CC[O-:10].CC[O-].CNC(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 2779, Prediction : 0.000000

Neg data

OPReactantPairId: 3434, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1OCC=C)C(CC)OC2=CC=CC=C2.CCC(C1C=CC=C[C+]1OCC=C)OC2=CC=CC=C2.[F-:10].[F-]

OrbPairId : 4037, Prediction : 0.000000

Neg data

OPReactantPairId: 2682, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)NC)CC1=CC=CC=C1.CC[O-:10].CC[O-].CNC(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 3431, Prediction : 0.000000

Neg data

OPReactantPairId: 2845, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C)([O-:10])[O:21]C(=O)C=C.CCNC(C)([O-])OC(=O)C=C

OrbPairId : 2958, Prediction : 0.000000

Neg data

OPReactantPairId: 3125, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][C:21](C)(CC)[N+](=O)[O-].CCC(C)[N+](=O)[O-]

OrbPairId : 3491, Prediction : 0.000000

Neg data

OPReactantPairId: 2845, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C)([O-:10])[O:21]C(=O)C=C.CCNC(C)([O-])OC(=O)C=C

OrbPairId : 3324, Prediction : 0.000000

Neg data

OPReactantPairId: 2849, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1CC(C(=O)C1)C(C2=CC=CC=C2)[O-:10].C1CC(C(=O)C1)C(C2=CC=CC=C2)[O-].[OH3+]

OrbPairId : 2963, Prediction : 0.000000

Neg data

OPReactantPairId: 3513, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([C:22](=[O:23])CCC2(C1(CCC2=O)O)C)CCC3=CC(=CC=C3)OC.CC[O-:10].CC[O-].CC12CCC(=O)C(C1(CCC2=O)O)CCC3=CC(=CC=C3)OC

OrbPairId : 4119, Prediction : 0.000000

Neg data

OPReactantPairId: 3347, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CNC(=O)C)(O)OCC.CCOC(CNC(=O)C)([OH2+])O.[OH2:10].O

OrbPairId : 3934, Prediction : 0.000000

Neg data

OPReactantPairId: 2672, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[N-:12][CH:11]=[CH:10]CC#N.C[N-]C=CCC#N.[OH3+]

OrbPairId : 2769, Prediction : 0.000000

Neg data

OPReactantPairId: 1963, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1CC[O:10]C(C1)O.C1CCOC(C1)O.[OH3+]

OrbPairId : 3728, Prediction : 0.000000

Neg data

OPReactantPairId: 3511, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1(C(=O)CC[C:20]1=[O:21])CC[C:11](=[CH:10]CCC2=CC(=CC=C2)OC)[O-:12].CC1(C(=O)CCC1=O)CCC(=CCCC2=CC(=CC=C2)OC)[O-]

OrbPairId : 4117, Prediction : 0.000000

Neg data

OPReactantPairId: 2548, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCCCOCC[O-:10].CCCCOCC[O-].[OH3+]

OrbPairId : 2637, Prediction : 0.000000

Neg data

OPReactantPairId: 1611, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[N+:23](CC)CC)C.CC[NH:10]CC.CCNCC.CC[N+](=C(C)C)CC

OrbPairId : 1611, Prediction : 0.000000

Neg data

OPReactantPairId: 2229, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
C[C:20](=[O:21])OC(=O)C=C.CC(=O)OC(=O)C=C.[C-:10]#N.[C-]#N

OrbPairId : 2281, Prediction : 0.000000
CC(=O)O[C:20](=[O:21])C=C.CC(=O)OC(=O)C=C.[C-:10]#N.[C-]#N

OrbPairId : 2282, Prediction : 0.000000

Neg data

OPReactantPairId: 2156, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](C)(C)[O:10]CC.CC[OH+]C(C)(C)OCC

OrbPairId : 3851, Prediction : 0.000000

Neg data

OPReactantPairId: 2229, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C[C:20](=[O:21])OC(=O)C=C.CC(=O)OC(=O)C=C.[C-:10]#N.[C-]#N

OrbPairId : 3407, Prediction : 0.000000
CC(=O)O[C:20](=[O:21])C=C.CC(=O)OC(=O)C=C.[C-:10]#N.[C-]#N

OrbPairId : 3408, Prediction : 0.000000

Neg data

OPReactantPairId: 2636, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21]1(CCCC1)C(=C)C.CC(=C)[NH+]1CCCC1.C=CC(=O)[O-:10].C=CC(=O)[O-]

OrbPairId : 2733, Prediction : 0.000000

Neg data

OPReactantPairId: 2404, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC(=O)C1CC[O:21][C:20]1([O-:10])OC.CC(=O)C1CCOC1([O-])OC

OrbPairId : 3395, Prediction : 0.000000
CC(=O)C1CCO[C:20]1([O-:10])[O:21]C.CC(=O)C1CCOC1([O-])OC

OrbPairId : 3396, Prediction : 0.000000

Neg data

OPReactantPairId: 3006, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C1CCC(CC1)NC(=[N:5]C2CCCCC2)[O:21][C:20]3(CCCN3)[O-:10].C1CCC(CC1)NC(=NC2CCCCC2)OC3(CCCN3)[O-]

OrbPairId : 3140, Prediction : 0.000000

Neg data

OPReactantPairId: 1705, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
[CH:11]1=[CH:10]C2=CC=C(C=C2C=C1)C(F)(F)F.C1=CC2=CC=C(C=C2C=C1)C(F)(F)F.[Br:20][Br:21].BrBr

OrbPairId : 3612, Prediction : 0.000000
C1=CC2=CC=C(C=C2[CH:10]=[CH:11]1)C(F)(F)F.C1=CC2=CC=C(C=C2C=C1)C(F)(F)F.[Br:20][Br:21].BrBr

OrbPairId : 3613, Prediction : 0.000000

Neg data

OPReactantPairId: 2310, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C1=CC=CC=C1)[C:22](=[O:23])C.CC[O-:10].CC[O-].CC(=O)CC1=CC=CC=C1

OrbPairId : 2370, Prediction : 0.000000

Neg data

OPReactantPairId: 2310, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C1=CC=CC=C1)[C:22](=[O:23])C.CC[O-:10].CC[O-].CC(=O)CC1=CC=CC=C1

OrbPairId : 3212, Prediction : 0.000000

Neg data

OPReactantPairId: 3280, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[OH+:21])C(=C(C)O)C.CCOC(=[OH+])C(=C(C)O)C.[OH2:10].O

OrbPairId : 3778, Prediction : 0.000000

Neg data

OPReactantPairId: 1916, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CCOC(=O)CC[C:20](=[O+:21]CC)C.CCOC(=O)CCC(=[O+]CC)C

OrbPairId : 1942, Prediction : 0.000000

Neg data

OPReactantPairId: 3501, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](CCCCBr)(C(=O)C)[C:22](=[O:23])C.CC[O-:10].CC[O-].CC(=O)C(CCCCBr)C(=O)C

OrbPairId : 4107, Prediction : 0.000000

Neg data

OPReactantPairId: 3418, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.CC(=O)C1=CC2=C([CH:10]=[CH:11]C=C2)C=C1.CC(=O)C1=CC2=C(C=CC=C2)C=C1

OrbPairId : 4016, Prediction : 0.000000
C[CH+:20]C.C[CH+]C.CC(=O)C1=CC2=C(C=C[CH:11]=[CH:10]2)C=C1.CC(=O)C1=CC2=C(C=CC=C2)C=C1

OrbPairId : 4017, Prediction : 0.000000

Neg data

OPReactantPairId: 2774, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]([CH:10]=[C:11](C1=CC=C(C=C1)I)[O-:12])(C2=CC=C(C=C2)I)[OH:21].CC(C=C(C1=CC=C(C=C1)I)[O-])(C2=CC=C(C=C2)I)O

OrbPairId : 2882, Prediction : 0.000000

Neg data

OPReactantPairId: 3344, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](C(C(=O)OCC)NC(=O)C)(O)[OH:10].CC[OH+]C(C(C(=O)OCC)NC(=O)C)(O)O

OrbPairId : 3931, Prediction : 0.000000

Neg data

OPReactantPairId: 1910, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[CH:20]=[N+:21](C)C.CC=[N+](C)C

OrbPairId : 1936, Prediction : 0.000000

Neg data

OPReactantPairId: 1704, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[CH:20]1C[OH+:21]1.CC1C[OH+]1

OrbPairId : 1714, Prediction : 0.000000

Neg data

OPReactantPairId: 3503, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC(=O)CC(C)(C)[O-:10].CC(=O)CC(C)(C)[O-]

OrbPairId : 4109, Prediction : 0.000000

Neg data

OPReactantPairId: 3286, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.[CH:11]1=[CH:10]C2=CC=CC(=C2C=C1)[N+](=O)[O-].C1=CC2=CC=CC(=C2C=C1)[N+](=O)[O-]

OrbPairId : 3786, Prediction : 0.000000

Neg data

OPReactantPairId: 3188, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
CC[O:21][C:20]1(CCCO1)[O-:10].CCOC1(CCCO1)[O-]

OrbPairId : 3570, Prediction : 0.000000
CCO[C:20]1(CCC[O:21]1)[O-:10].CCOC1(CCCO1)[O-]

OrbPairId : 3571, Prediction : 0.000000

Neg data

OPReactantPairId: 3349, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](CNC(=O)C)(O)[OH:10].CC[OH+]C(CNC(=O)C)(O)O

OrbPairId : 3936, Prediction : 0.000000

Neg data

OPReactantPairId: 2776, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[OH:10].CO.C1=CC=C(C=C1)[C:20](=[O:21])Cl.C1=CC=C(C=C1)C(=O)Cl

OrbPairId : 3228, Prediction : 0.000000

Neg data

OPReactantPairId: 2031, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([NH2+:21]C)[OH:10].CC([NH2+]C)O

OrbPairId : 3878, Prediction : 0.000000

Neg data

OPReactantPairId: 3284, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[O:10]C(C(C)C(=O)C)(O)O.CCOC(C(C)C(=O)C)(O)O.[OH3+]

OrbPairId : 3782, Prediction : 0.000000

Neg data

OPReactantPairId: 1912, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH+:21](CC)[C:20](C)([OH:10])OCC.CC[NH+](CC)C(C)(O)OCC

OrbPairId : 1938, Prediction : 0.000000

Neg data

OPReactantPairId: 1706, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1(C([Br+:21]1)C2=CC=CC=C2)C.CC1(C([Br+]1)C2=CC=CC=C2)C.[Br-:10].[Br-]

OrbPairId : 1717, Prediction : 0.000000

Neg data

OPReactantPairId: 1700, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[OH:12].CC(=C)O.C1=CC=C(C=C1)[CH:20]=[OH+:21].C1=CC=C(C=C1)C=[OH+]

OrbPairId : 1710, Prediction : 0.000000

Neg data

OPReactantPairId: 3599, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])C.CCOC(=O)C.[CH2-:10]C#N.[CH2-]C#N

OrbPairId : 4218, Prediction : 0.000000

Neg data

OPReactantPairId: 2086, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[N:12](C)[CH:11]=[CH2:10].CN(C)C=C.[OH3+]

OrbPairId : 3896, Prediction : 0.000000

Neg data

OPReactantPairId: 2037, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]([OH:10])[OH+:21]C.CCC(O)[OH+]C

OrbPairId : 2071, Prediction : 0.000000

Neg data

OPReactantPairId: 1760, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
[CH:11]1=[CH:10]C2=CC=C(C=C2C=C1)[N+](=O)[O-].C1=CC2=CC=C(C=C2C=C1)[N+](=O)[O-].[Br:20][Br:21].BrBr

OrbPairId : 3652, Prediction : 0.000000
C1=CC2=CC=C(C=C2[CH:10]=[CH:11]1)[N+](=O)[O-].C1=CC2=CC=C(C=C2C=C1)[N+](=O)[O-].[Br:20][Br:21].BrBr

OrbPairId : 3653, Prediction : 0.000000

Neg data

OPReactantPairId: 1760, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[CH:11]1=[CH:10]C2=CC=C(C=C2C=C1)[N+](=O)[O-].C1=CC2=CC=C(C=C2C=C1)[N+](=O)[O-].[Br:20][Br:21].BrBr

OrbPairId : 1774, Prediction : 0.000000
C1=CC2=CC=C(C=C2[CH:10]=[CH:11]1)[N+](=O)[O-].C1=CC2=CC=C(C=C2C=C1)[N+](=O)[O-].[Br:20][Br:21].BrBr

OrbPairId : 1778, Prediction : 0.000000

Neg data

OPReactantPairId: 1583, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CO[C:22](=[O:23])[CH:21]=[CH2:20].COC(=O)C=C

OrbPairId : 1584, Prediction : 0.000000

Neg data

OPReactantPairId: 2592, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.C[C:20](=[O:21])C1=CC=CC=C1.CC(=O)C1=CC=CC=C1

OrbPairId : 2686, Prediction : 0.000000

Neg data

OPReactantPairId: 1583, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CO[C:22](=[O:23])[CH:21]=[CH2:20].COC(=O)C=C

OrbPairId : 2598, Prediction : 0.000000

Neg data

OPReactantPairId: 3595, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:2](=[CH2:1])C.CC(=C)O.[OH-:10].[OH-]

OrbPairId : 4212, Prediction : 0.000000

Neg data

OPReactantPairId: 1770, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)N(C)C)Br.CN(C)[C+]1C=CC(C=C1)Br.[Br-:10].[Br-]

OrbPairId : 1788, Prediction : 0.000000

Neg data

OPReactantPairId: 3593, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C[C:20](=[O:21])OC(=O)C=C.CC(=O)OC(=O)C=C

OrbPairId : 4210, Prediction : 0.000000
CC[O-:10].CC[O-].CC(=O)O[C:20](=[O:21])C=C.CC(=O)OC(=O)C=C

OrbPairId : 4213, Prediction : 0.000000

Neg data

OPReactantPairId: 2594, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][O:10][C:20](CCC=O)(C1=CC=CC=C1)[O:21]C(=O)C.[Li]OC(CCC=O)(C1=CC=CC=C1)OC(=O)C

OrbPairId : 2688, Prediction : 0.000000

Neg data

OPReactantPairId: 2932, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)(C)[CH:20]1C[Br+:21]1.CC(C)(C)C1C[Br+]1.[OH2:10].O

OrbPairId : 3065, Prediction : 0.000000

Neg data

OPReactantPairId: 2764, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21](CC)C(C)([O-])OC(=O)C.CC[OH+]C(C)([O-])OC(=O)C.[OH2:10].O

OrbPairId : 2872, Prediction : 0.000000

Neg data

OPReactantPairId: 1581, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CN[C:20](=[OH+:21])CC#N.CNC(=[OH+])CC#N

OrbPairId : 1580, Prediction : 0.000000

Neg data

OPReactantPairId: 2011, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1[CH2:20][OH+:21]1.C1C[OH+]1.[OH2:10].O

OrbPairId : 2043, Prediction : 0.000000

Neg data

OPReactantPairId: 2930, ReactionConditionsId: 7

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCCC([CH:22]1[Cl:23])C)CC.CCC1CCCC(C1Cl)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3062, Prediction : 0.000000
[H:20][C:21]1(CCCC([CH:22]1[Cl:23])CC)C.CCC1CCCC(C1Cl)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3063, Prediction : 0.000000

Neg data

OPReactantPairId: 1772, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CN(C)[C:11]1=[CH:10]C=C(C=C1)Br.CN(C)C1=CC=C(C=C1)Br.[Br:20][Br:21].BrBr

OrbPairId : 1790, Prediction : 0.000000

Neg data

OPReactantPairId: 2700, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])CCC(=O)N(C)C.CCOC(=O)CCC(=O)N(C)C.CN(C)C(=O)C[CH:10]=[C:11]([O-:12])OC.CN(C)C(=O)CC=C([O-])OC

OrbPairId : 3365, Prediction : 0.000000

Neg data

OPReactantPairId: 2700, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])CCC(=O)N(C)C.CCOC(=O)CCC(=O)N(C)C.CN(C)C(=O)C[CH:10]=[C:11]([O-:12])OC.CN(C)C(=O)CC=C([O-])OC

OrbPairId : 2800, Prediction : 0.000000

Neg data

OPReactantPairId: 3589, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)CC(=O)C[C:20](O)([O-:10])[Cl:21].C1=CC=C(C=C1)CC(=O)CC(O)([O-])Cl

OrbPairId : 4205, Prediction : 0.000000

Neg data

OPReactantPairId: 2762, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[Li:11][O:10]C(C)(CCC(=O)OCC)C1=CC=CC=C1.[Li]OC(C)(CCC(=O)OCC)C1=CC=CC=C1.[OH3+]

OrbPairId : 2870, Prediction : 0.000000

Neg data

OPReactantPairId: 1472, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CC1C([O:10]1)(C)C.CC1C(O1)(C)C.Br

OrbPairId : 1466, Prediction : 0.000000

Neg data

OPReactantPairId: 3414, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=CC(=C2)C(F)(F)F)C(C)C.CC(C)C1[CH+]C=CC2=C1C=CC(=C2)C(F)(F)F.[F-:10].[F-]

OrbPairId : 4012, Prediction : 0.000000

Neg data

OPReactantPairId: 1774, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C=C[C+:22]1N(C)C)Br)Br.CN(C)[C+]1C=CC(=CC1Br)Br.[Br-:10].[Br-]

OrbPairId : 1792, Prediction : 0.000000

Neg data

OPReactantPairId: 2312, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCCN1[C:20](=[OH+:21])C2=C(C1=O)C=CC=C2.CCCN1C(=[OH+])C2=C(C1=O)C=CC=C2.[OH2:10].O

OrbPairId : 2373, Prediction : 0.000000

Neg data

OPReactantPairId: 2312, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCCN1[C:20](=[OH+:21])C2=C(C1=O)C=CC=C2.CCCN1C(=[OH+])C2=C(C1=O)C=CC=C2.[OH2:10].O

OrbPairId : 3804, Prediction : 0.000000

Neg data

OPReactantPairId: 2749, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)[C:22](=[O:23])[CH:21]=[CH2:20].CCN(CC)C(=O)C=C.C[C:11](=[CH2:10])[O-:12].CC(=C)[O-]

OrbPairId : 3237, Prediction : 0.000000

Neg data

OPReactantPairId: 3507, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:10]1=[C:11](CCC1=O)[O-:12].CC1=C(CCC1=O)[O-].COC1=CC(=CC=C1)CCC[C:22](=[O:23])[CH:21]=[CH2:20].COC1=CC(=CC=C1)CCCC(=O)C=C

OrbPairId : 4113, Prediction : 0.000000

Neg data

OPReactantPairId: 2749, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)[C:22](=[O:23])[CH:21]=[CH2:20].CCN(CC)C(=O)C=C.C[C:11](=[CH2:10])[O-:12].CC(=C)[O-]

OrbPairId : 2855, Prediction : 0.000000

Neg data

OPReactantPairId: 2760, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCCC([CH:22]1[Cl:23])C)CC.CCC1CCCC(C1Cl)C.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 2867, Prediction : 0.000000
[H:20][C:21]1(CCCC([CH:22]1[Cl:23])CC)C.CCC1CCCC(C1Cl)C.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 2868, Prediction : 0.000000

Neg data

OPReactantPairId: 2900, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](CC#[C-])[CH2:22][Br:23].CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.[C-]#CCCCBr

OrbPairId : 3026, Prediction : 0.000000

Neg data

OPReactantPairId: 3587, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH:10][CH2:20][OH:21])[O-:12].CC(=CCO)[O-]

OrbPairId : 4203, Prediction : 0.000000

Neg data

OPReactantPairId: 1820, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:10]=[CH:11][OH:12].C=CO.C1=CC=C(C=C1)[CH:20]=[OH+:21].C1=CC=C(C=C1)C=[OH+]

OrbPairId : 1839, Prediction : 0.000000

Neg data

OPReactantPairId: 2231, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C#N)([O-:10])[O:21]C(=O)C=C.CC(C#N)([O-])OC(=O)C=C

OrbPairId : 3409, Prediction : 0.000000

Neg data

OPReactantPairId: 2231, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C#N)([O-:10])[O:21]C(=O)C=C.CC(C#N)([O-])OC(=O)C=C

OrbPairId : 2284, Prediction : 0.000000

Neg data

OPReactantPairId: 2033, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].COC[CH:11]=[CH2:10].COCC=C.[OH3+]

OrbPairId : 2066, Prediction : 0.000000

Neg data

OPReactantPairId: 1754, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC(=C[CH:10]=[C:11]1N)Br.C1=CC(=CC=C1N)Br.[Br:20][Br:21].BrBr

OrbPairId : 1768, Prediction : 0.000000

Neg data

OPReactantPairId: 2745, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:11](=[CH:10]C(=O)OCC)[O-:12].CCOC(=CC(=O)OCC)[O-].C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr

OrbPairId : 2851, Prediction : 0.000000

Neg data

OPReactantPairId: 3581, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC#N.C(C#N)O.[OH-:10].[OH-]

OrbPairId : 4196, Prediction : 0.000000

Neg data

OPReactantPairId: 2233, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C=CC(=O)[O-:10].C=CC(=O)[O-].[OH3+]

OrbPairId : 2286, Prediction : 0.000000

Neg data

OPReactantPairId: 2926, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)[C:22](=[O:23])CC1=CC=CC=C1.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.C1=CC=C(C=C1)CC(=O)CC#N

OrbPairId : 3057, Prediction : 0.000000

Neg data

OPReactantPairId: 2747, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].C[C:22](=[O:23])[CH:21]=[CH2:20].CC(=O)C=C

OrbPairId : 2853, Prediction : 0.000000

Neg data

OPReactantPairId: 2747, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].C[C:22](=[O:23])[CH:21]=[CH2:20].CC(=O)C=C

OrbPairId : 3452, Prediction : 0.000000

Neg data

OPReactantPairId: 2741, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH2:20][Br:21].CCCBr.C1=CC2=C(C=C1)C(=O)[N-:10]C2=O.C1=CC2=C(C=C1)C(=O)[N-]C2=O

OrbPairId : 3453, Prediction : 0.000000

Neg data

OPReactantPairId: 2741, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH2:20][Br:21].CCCBr.C1=CC2=C(C=C1)C(=O)[N-:10]C2=O.C1=CC2=C(C=C1)C(=O)[N-]C2=O

OrbPairId : 2847, Prediction : 0.000000

Neg data

OPReactantPairId: 2320, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCCN[C:20](=[OH+:21])C1=C(C=CC=C1)C(=O)O.CCCNC(=[OH+])C1=C(C=CC=C1)C(=O)O.[OH2:10].O

OrbPairId : 3809, Prediction : 0.000000

Neg data

OPReactantPairId: 2320, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCCN[C:20](=[OH+:21])C1=C(C=CC=C1)C(=O)O.CCCNC(=[OH+])C1=C(C=CC=C1)C(=O)O.[OH2:10].O

OrbPairId : 2380, Prediction : 0.000000

Neg data

OPReactantPairId: 2759, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[CH:20](C)[Br:21].CC(C)C(C)Br.[C-:10]#N.[C-]#N

OrbPairId : 2866, Prediction : 0.000000

Neg data

OPReactantPairId: 2920, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C1=CC=CC=C1)[C:22](=[O:23])CC(=O)[O-].CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.C1=CC=C(C=C1)CC(=O)CC(=O)[O-]

OrbPairId : 3050, Prediction : 0.000000

Neg data

OPReactantPairId: 1604, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH+:20]O.CC[CH+]O.C=CC[O-:10].C=CC[O-]

OrbPairId : 1604, Prediction : 0.000000

Neg data

OPReactantPairId: 3331, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](=CC)O.CC=[NH+]O.[NH2:10]O.NO

OrbPairId : 3915, Prediction : 0.000000

Neg data

OPReactantPairId: 1854, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[C:20](=[OH+:21])OC.CC(=[OH+])OC

OrbPairId : 1875, Prediction : 0.000000

Neg data

OPReactantPairId: 2013, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]CCO.C(CO)[OH2+].[OH2:10].O

OrbPairId : 2045, Prediction : 0.000000

Neg data

OPReactantPairId: 2922, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)Cl)CC1=CC=CC=C1.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.C1=CC=C(C=C1)CC(=CC(=O)Cl)O

OrbPairId : 3052, Prediction : 0.000000

Neg data

OPReactantPairId: 1762, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC(=O)C1=CC2=C([CH:10]=[CH:11]C=C2)C=C1.CC(=O)C1=CC2=C(C=CC=C2)C=C1.[Br:20][Br:21].BrBr

OrbPairId : 1776, Prediction : 0.000000
CC(=O)C1=CC2=C(C=C[CH:11]=[CH:10]2)C=C1.CC(=O)C1=CC2=C(C=CC=C2)C=C1.[Br:20][Br:21].BrBr

OrbPairId : 1779, Prediction : 0.000000

Neg data

OPReactantPairId: 1762, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CC(=O)C1=CC2=C([CH:10]=[CH:11]C=C2)C=C1.CC(=O)C1=CC2=C(C=CC=C2)C=C1.[Br:20][Br:21].BrBr

OrbPairId : 3661, Prediction : 0.000000
CC(=O)C1=CC2=C(C=C[CH:11]=[CH:10]2)C=C1.CC(=O)C1=CC2=C(C=CC=C2)C=C1.[Br:20][Br:21].BrBr

OrbPairId : 3662, Prediction : 0.000000

Neg data

OPReactantPairId: 3597, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)C.CC(=O)O.[OH-:10].[OH-]

OrbPairId : 4216, Prediction : 0.000000

Neg data

OPReactantPairId: 2590, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.C[C:20](=[O:21])OC(=O)CCC=O.CC(=O)OC(=O)CCC=O

OrbPairId : 2683, Prediction : 0.000000
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.CC(=O)O[C:20](=[O:21])CCC=O.CC(=O)OC(=O)CCC=O

OrbPairId : 2684, Prediction : 0.000000

Neg data

OPReactantPairId: 2021, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[C:1](=[NH:10])[OH:2].CCC(=N)O.[OH3+]

OrbPairId : 2054, Prediction : 0.000000

Neg data

OPReactantPairId: 2753, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(CCC=C)[O-:10].CC(CCC=C)[O-].[OH3+]

OrbPairId : 2859, Prediction : 0.000000

Neg data

OPReactantPairId: 2021, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[C:1](=[NH:10])[OH:2].CCC(=N)O.[OH3+]

OrbPairId : 3886, Prediction : 0.000000

Neg data

OPReactantPairId: 2408, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](CC(=O)CC1=CC=CC=C1)([O-:10])[Cl:21].CCOC(CC(=O)CC1=CC=CC=C1)([O-])Cl

OrbPairId : 3217, Prediction : 0.000000

Neg data

OPReactantPairId: 2227, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=CCC1=CC=CC=C1.C1=CC=C(C=C1)CC=[OH+].[OH2:10].O

OrbPairId : 2279, Prediction : 0.000000

Neg data

OPReactantPairId: 2751, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][CH2:10]C=C.[Li]CC=C.CC1[CH2:20][O:21]1.CC1CO1

OrbPairId : 2857, Prediction : 0.000000

Neg data

OPReactantPairId: 2023, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CC)(N)O.CCC(N)([OH2+])O.[OH2:10].O

OrbPairId : 3891, Prediction : 0.000000

Neg data

OPReactantPairId: 2928, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)[N+](=O)[O-].CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.C(C#N)[N+](=O)[O-]

OrbPairId : 3059, Prediction : 0.000000

Neg data

OPReactantPairId: 1509, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C+:20](C)C.CC[C+](C)C.[Br-:10].[Br-]

OrbPairId : 1503, Prediction : 0.000000

Neg data

OPReactantPairId: 2001, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[C:11](=[CH2:10])Br.CC(=C)Br.[OH3+]

OrbPairId : 2033, Prediction : 0.000000

Neg data

OPReactantPairId: 1689, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[C:20](=[OH+:21])OC(=O)C=C.CC(=[OH+])OC(=O)C=C

OrbPairId : 1699, Prediction : 0.000000

Neg data

OPReactantPairId: 2050, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[N:10](CC)C(C=C)(O)O.CCN(CC)C(C=C)(O)O.[OH3+]

OrbPairId : 2084, Prediction : 0.000000

Neg data

OPReactantPairId: 2225, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[O:10]C(CC1=CC=CC=C1)O.COC(CC1=CC=CC=C1)O.[OH3+]

OrbPairId : 2277, Prediction : 0.000000

Neg data

OPReactantPairId: 1647, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[C:20](=[OH+:21])OC(=O)CCC=O.CC(=[OH+])OC(=O)CCC=O

OrbPairId : 1649, Prediction : 0.000000

Neg data

OPReactantPairId: 2025, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20]([NH3+:21])(O)[OH:10].CCC([NH3+])(O)O

OrbPairId : 2058, Prediction : 0.000000

Neg data

OPReactantPairId: 2757, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])C1=C(C=CC=C1)F)C(C)(C2=C(C=CC=C2)F)O.CC[O-:10].CC[O-].CC(CC(=O)C1=C(C=CC=C1)F)(C2=C(C=CC=C2)F)O

OrbPairId : 2864, Prediction : 0.000000

Neg data

OPReactantPairId: 2025, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20]([NH3+:21])(O)[OH:10].CCC([NH3+])(O)O

OrbPairId : 3895, Prediction : 0.000000

Neg data

OPReactantPairId: 1750, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([C:5]2=[C:6](C=CC=C2)C=C[C+:22]1C)Br.C[C+]1C=CC2=C(C1Br)C=CC=C2.[Br-:10].[Br-]

OrbPairId : 1763, Prediction : 0.000000

Neg data

OPReactantPairId: 3585, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](CO)[C:22](=[O:23])C.CC[O-:10].CC[O-].CC(=O)CCO

OrbPairId : 4201, Prediction : 0.000000

Neg data

OPReactantPairId: 3323, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][F:21].C[CH:11]=[CH2:10].CC=C.F

OrbPairId : 3907, Prediction : 0.000000

Neg data

OPReactantPairId: 2308, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)O)N=NC2=CC=CC=C2.C1=CC=C(C=C1)N=NC2C=C[C+](C=C2)O.[Cl-:10].[Cl-]

OrbPairId : 2368, Prediction : 0.000000

Neg data

OPReactantPairId: 1756, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=C(C=C([C:11](=[CH:10]1)N)Br)Br.C1=C(C=C(C(=C1)N)Br)Br.[Br:20][Br:21].BrBr

OrbPairId : 1770, Prediction : 0.000000

Neg data

OPReactantPairId: 2439, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](C(C)C(=O)C)([O-:10])[Cl:21].CCC(C(C)C(=O)C)([O-])Cl

OrbPairId : 2514, Prediction : 0.000000

Neg data

OPReactantPairId: 2439, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](C(C)C(=O)C)([O-:10])[Cl:21].CCC(C(C)C(=O)C)([O-])Cl

OrbPairId : 3295, Prediction : 0.000000

Neg data

OPReactantPairId: 1708, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=CC(=C2)C(F)(F)F)Br.C1=CC2=C(C=CC(=C2)C(F)(F)F)C([CH+]1)Br.[Br-:10].[Br-]

OrbPairId : 1719, Prediction : 0.000000

Neg data

OPReactantPairId: 3422, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(C)(C)C#N.CC[O-:10].CC[O-].CC(C)(C#N)O

OrbPairId : 4021, Prediction : 0.000000

Neg data

OPReactantPairId: 1758, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1N)Br.C1=CC([C+](C=C1)N)Br.[Br-:10].[Br-]

OrbPairId : 1772, Prediction : 0.000000

Neg data

OPReactantPairId: 1526, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1CCCC[C+:20]1C.CC1CCCC[C+]1C.[Br-:10].[Br-]

OrbPairId : 1522, Prediction : 0.000000

Neg data

OPReactantPairId: 2437, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](=[O:21])Cl.CCC(=O)Cl.C[CH:10]=[C:11](C)[O-:12].CC=C(C)[O-]

OrbPairId : 3294, Prediction : 0.000000

Neg data

OPReactantPairId: 2437, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](=[O:21])Cl.CCC(=O)Cl.C[CH:10]=[C:11](C)[O-:12].CC=C(C)[O-]

OrbPairId : 2511, Prediction : 0.000000

Neg data

OPReactantPairId: 3420, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=C(C=C2)C(=O)C)C(C)C.CC(C)C1[CH+]C=CC2=C1C=C(C=C2)C(=O)C.[F-:10].[F-]

OrbPairId : 4019, Prediction : 0.000000

Neg data

OPReactantPairId: 3203, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C.C1=CC=C(C=C1)[OH:10].C1=CC=C(C=C1)O

OrbPairId : 3589, Prediction : 0.000000

Neg data

OPReactantPairId: 2880, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)[N+](=O)[O-].CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.C1=CC=C(C=C1)CC(=O)C[N+](=O)[O-]

OrbPairId : 3004, Prediction : 0.000000

Neg data

OPReactantPairId: 3496, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCC(C(C)C=O)[O-:10].CCC(C(C)C=O)[O-].CCO

OrbPairId : 4102, Prediction : 0.000000

Neg data

OPReactantPairId: 2091, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC([NH:10]C)(O)O.CC(NC)(O)O.[OH3+]

OrbPairId : 2128, Prediction : 0.000000

Neg data

OPReactantPairId: 1625, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.[CH:11]1=[CH:10]C=CC=C1.C1=CC=CC=C1

OrbPairId : 3692, Prediction : 0.000000

Neg data

OPReactantPairId: 3201, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21](C(C)([O-])OC(=O)C)N=C(C)C.CC(=N[OH+]C(C)([O-])OC(=O)C)C.CC(=O)[O-:10].CC(=O)[O-]

OrbPairId : 3586, Prediction : 0.000000

Neg data

OPReactantPairId: 1997, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](O)([OH:10])[O:21]C(=O)C=C.CC(O)(O)OC(=O)C=C

OrbPairId : 2029, Prediction : 0.000000

Neg data

OPReactantPairId: 1991, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(C)(C)[CH:11]=[CH2:10].CC(C)(C)C=C.[OH3+]

OrbPairId : 2022, Prediction : 0.000000

Neg data

OPReactantPairId: 3207, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21](C(C)CC)C(C)([O-])OC(=O)C.CCC(C)[OH+]C(C)([O-])OC(=O)C.CC(=O)[O-:10].CC(=O)[O-]

OrbPairId : 3593, Prediction : 0.000000

Neg data

OPReactantPairId: 2221, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[O:12][CH:11]=[CH:10]C1=CC=CC=C1.COC=CC1=CC=CC=C1.[OH3+]

OrbPairId : 2271, Prediction : 0.000000

Neg data

OPReactantPairId: 3494, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)([CH:22]=[O:23])C(C)O.CC[O-:10].CC[O-].CC(C=O)C(C)O

OrbPairId : 4098, Prediction : 0.000000

Neg data

OPReactantPairId: 1923, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:11]1=[CH:10]C=C(C2=CC=CC=C21)Br.COC1=CC=C(C2=CC=CC=C21)Br.[Br:20][Br:21].BrBr

OrbPairId : 3656, Prediction : 0.000000

Neg data

OPReactantPairId: 3498, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)([CH:22]=[O:23])C(CC)O.CCC(C(C)C=O)O.CC[O-:10].CC[O-]

OrbPairId : 4104, Prediction : 0.000000

Neg data

OPReactantPairId: 1983, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]=[N+:21](C)C.CCC=[N+](C)C.[OH2:10].O

OrbPairId : 2012, Prediction : 0.000000

Neg data

OPReactantPairId: 3211, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC=CCO[C:20](C)([O-:10])[O:21]C(=O)C.CC=CCOC(C)([O-])OC(=O)C

OrbPairId : 3597, Prediction : 0.000000

Neg data

OPReactantPairId: 2173, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:21][C:20]1(C(=CC=C[N-:10]1)C)N.CC1=CC=C[N-]C1N

OrbPairId : 2218, Prediction : 0.000000

Neg data

OPReactantPairId: 2220, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](C)(O)[OH:10].CC(=O)OC(C)(O)O

OrbPairId : 2270, Prediction : 0.000000

Neg data

OPReactantPairId: 3108, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][N:21](C)C(=O)CC(=O)CC1=CC=CC=C1.CNC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3465, Prediction : 0.000000

Neg data

OPReactantPairId: 3213, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](C)(C#CCO)[O-:10].CC(=O)OC(C)(C#CCO)[O-]

OrbPairId : 3599, Prediction : 0.000000

Neg data

OPReactantPairId: 1981, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]CC=CC.CC=CC[OH2+].[OH2:10].O

OrbPairId : 2010, Prediction : 0.000000

Neg data

OPReactantPairId: 1634, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1C[C:20]([OH+:21]C1)(O)[OH:10].C1CC([OH+]C1)(O)O

OrbPairId : 1635, Prediction : 0.000000

Neg data

OPReactantPairId: 2425, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C

OrbPairId : 3244, Prediction : 0.000000

Neg data

OPReactantPairId: 2425, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C

OrbPairId : 2499, Prediction : 0.000000

Neg data

OPReactantPairId: 2023, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CC)(N)O.CCC(N)([OH2+])O.[OH2:10].O

OrbPairId : 2056, Prediction : 0.000000

Neg data

OPReactantPairId: 1874, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])CC[C:11](=[CH2:10])[OH:12].CC(=[OH+])CCC(=C)O

OrbPairId : 1897, Prediction : 0.000000

Neg data

OPReactantPairId: 1987, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=CCC.CCC=[OH+].[OH2:10].O

OrbPairId : 2016, Prediction : 0.000000

Neg data

OPReactantPairId: 3215, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21](C(C)([O-])OC(=O)C)N=CC.CC=N[OH+]C(C)([O-])OC(=O)C.CC(=O)[O-:10].CC(=O)[O-]

OrbPairId : 3601, Prediction : 0.000000

Neg data

OPReactantPairId: 1631, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.CC(C)[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CC(C)C1=CC=CC=C1

OrbPairId : 3711, Prediction : 0.000000

Neg data

OPReactantPairId: 3424, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][F:21].[CH2:10]=[CH:11]COC1=CC=CC=C1.C=CCOC1=CC=CC=C1.F

OrbPairId : 4026, Prediction : 0.000000

Neg data

OPReactantPairId: 1507, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CC(C)C(C)[OH:10].CC(C)C(C)O.Br

OrbPairId : 1504, Prediction : 0.000000

Neg data

OPReactantPairId: 1885, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10]CC.CCNCC.C[C:20](=[O:21])Cl.CC(=O)Cl

OrbPairId : 1910, Prediction : 0.000000

Neg data

OPReactantPairId: 3686, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C[CH:20](C1=CC=CC=C1)[Br:21].CC(C1=CC=CC=C1)Br.[OH-:10].[OH-]

OrbPairId : 4316, Prediction : 0.000000
[H:20][CH2:21][CH:22](C1=CC=CC=C1)[Br:23].CC(C1=CC=CC=C1)Br.[OH-:10].[OH-]

OrbPairId : 4318, Prediction : 0.000000

Neg data

OPReactantPairId: 2176, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)([CH:22](C)[Br:23])Br.CC(C(C)Br)Br.[NH2-:10].[NH2-]

OrbPairId : 2222, Prediction : 0.000000

Neg data

OPReactantPairId: 1651, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](CCC=O)([OH:10])[O:21]C(=O)C.CCOC(CCC=O)(O)OC(=O)C

OrbPairId : 1653, Prediction : 0.000000

Neg data

OPReactantPairId: 2898, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)([C:22](=[O:23])C(C)(Br)Br)Br.CC(C(=O)C(C)(Br)Br)Br.[OH-:10].[OH-]

OrbPairId : 3023, Prediction : 0.000000

Neg data

OPReactantPairId: 2174, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21]C1=NC=CC=C1.CC1=NC=CC=C1.[NH2-:10].[NH2-]

OrbPairId : 2219, Prediction : 0.000000

Neg data

OPReactantPairId: 1838, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20](C)CCC[OH:10].C[C+](C)CCCO

OrbPairId : 1859, Prediction : 0.000000

Neg data

OPReactantPairId: 2114, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[NH:12][CH:11]=[CH:10]CO.CNC=CCO.[OH3+]

OrbPairId : 2152, Prediction : 0.000000

Neg data

OPReactantPairId: 2172, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:21][C:20]1(C=CC=C[N-:10]1)N.C1=CC([N-]C=C1)N

OrbPairId : 2216, Prediction : 0.000000

Neg data

OPReactantPairId: 2148, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)C[C:11](=[CH:10][C:20](=O)[Cl:21])[O-:12].C1=CC=C(C=C1)CC(=CC(=O)Cl)[O-]

OrbPairId : 3044, Prediction : 0.000000

Neg data

OPReactantPairId: 2210, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:22](=[OH+:23])[CH:21]=[CH2:20].CC(=[OH+])C=C.[OH2:10].O

OrbPairId : 2260, Prediction : 0.000000

Neg data

OPReactantPairId: 2186, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)(C)[CH:22](CC(C(C)C)Br)[Br:23].CC(C)C(CC(C(C)C)Br)Br.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 2231, Prediction : 0.000000

Neg data

OPReactantPairId: 2116, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[C:10](=[CH:11]C1=CC=CC=C1)C.CC(=CC1=CC=CC=C1)C.[OH3+]

OrbPairId : 2154, Prediction : 0.000000

Neg data

OPReactantPairId: 1687, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH:22]=[N+:23](CC)CC.CC[N+](=CC)CC.C[N:10](C)C=C.CN(C)C=C

OrbPairId : 1697, Prediction : 0.000000

Neg data

OPReactantPairId: 2418, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.CN(C)[C:20](=[O:21])CC#N.CN(C)C(=O)CC#N

OrbPairId : 2491, Prediction : 0.000000

Neg data

OPReactantPairId: 2414, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)OCC)CC1=CC=CC=C1.CC[O-:10].CC[O-].CCOC(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 3406, Prediction : 0.000000

Neg data

OPReactantPairId: 1933, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1O)Br.C1=CC([C+](C=C1)O)Br.[Br-:10].[Br-]

OrbPairId : 1960, Prediction : 0.000000

Neg data

OPReactantPairId: 3261, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2+:20].C[CH2+].[CH:11]1=[CH:10]C=CC=C1.C1=CC=CC=C1

OrbPairId : 3702, Prediction : 0.000000

Neg data

OPReactantPairId: 3372, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][F:21].[CH2:10]=[CH:11]C1=CC=CC=C1.C=CC1=CC=CC=C1.F

OrbPairId : 3960, Prediction : 0.000000

Neg data

OPReactantPairId: 1946, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC1(OCC[O:10]1)C.CC1(OCCO1)C.[OH3+]

OrbPairId : 3731, Prediction : 0.000000

Neg data

OPReactantPairId: 2142, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)OC)CC1=CC=CC=C1.COC(=O)C=C(CC1=CC=CC=C1)O.[NH2-:10].[NH2-]

OrbPairId : 2182, Prediction : 0.000000

Neg data

OPReactantPairId: 2300, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(CC)C1=CC=CC=C1.CCC(=[OH+])C1=CC=CC=C1.[OH2:10].O

OrbPairId : 2359, Prediction : 0.000000

Neg data

OPReactantPairId: 2416, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(=O)CC(NC)[O-:10].CC(=O)CC(NC)[O-].[OH3+]

OrbPairId : 2489, Prediction : 0.000000

Neg data

OPReactantPairId: 2140, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1CCC[C:3]([CH:22]1[Br:23])([H:2])C=CC.CC=CC1CCCCC1Br.[NH2-:10].[NH2-]

OrbPairId : 2180, Prediction : 0.000000

Neg data

OPReactantPairId: 2302, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCN[C:11](=[CH:10]CCC(=O)C)[O-:12].CCNC(=CCCC(=O)C)[O-].[OH3+]

OrbPairId : 2362, Prediction : 0.000000

Neg data

OPReactantPairId: 2521, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](CC=O)([O-:10])[Cl:21].CC(CC=O)([O-])Cl

OrbPairId : 3318, Prediction : 0.000000

Neg data

OPReactantPairId: 2521, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](CC=O)([O-:10])[Cl:21].CC(CC=O)([O-])Cl

OrbPairId : 2608, Prediction : 0.000000

Neg data

OPReactantPairId: 3546, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C(C)O)[N+](=O)[O-].CC[O-:10].CC[O-].CC(C[N+](=O)[O-])O

OrbPairId : 4155, Prediction : 0.000000

Neg data

OPReactantPairId: 3688, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[C:20](=[N:21]C=C1)Cl.C1=CC(=NC=C1)Cl.[OH-:10].[OH-]

OrbPairId : 4319, Prediction : 0.000000

Neg data

OPReactantPairId: 1655, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[C:20](=[O:21])OC(=O)C=C.CC(=O)OC(=O)C=C

OrbPairId : 2955, Prediction : 0.000000
CC[NH2:10].CCN.CC(=O)O[C:20](=[O:21])C=C.CC(=O)OC(=O)C=C

OrbPairId : 2956, Prediction : 0.000000

Neg data

OPReactantPairId: 1655, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[C:20](=[O:21])OC(=O)C=C.CC(=O)OC(=O)C=C

OrbPairId : 1659, Prediction : 0.000000
CC[NH2:10].CCN.CC(=O)O[C:20](=[O:21])C=C.CC(=O)OC(=O)C=C

OrbPairId : 1660, Prediction : 0.000000

Neg data

OPReactantPairId: 1930, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C=C[C+:22]1O)Br)Br.C1=C[C+](C(C=C1Br)Br)O.[Br-:10].[Br-]

OrbPairId : 1957, Prediction : 0.000000

Neg data

OPReactantPairId: 2523, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCC[CH:20]([NH+:21]1CCCCC1)[OH:10].CCCC([NH+]1CCCCC1)O

OrbPairId : 2610, Prediction : 0.000000

Neg data

OPReactantPairId: 2525, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC#[C-:10].CC#[C-].C[C:20](=[O:21])Cl.CC(=O)Cl

OrbPairId : 2612, Prediction : 0.000000

Neg data

OPReactantPairId: 3548, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC=CC(C)(C(C=C)C(=O)C)[O-:10].CC=CC(C)(C(C=C)C(=O)C)[O-]

OrbPairId : 4161, Prediction : 0.000000

Neg data

OPReactantPairId: 2160, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](C)(C)[OH:10].CC[OH+]C(C)(C)O

OrbPairId : 2203, Prediction : 0.000000

Neg data

OPReactantPairId: 2160, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](C)(C)[OH:10].CC[OH+]C(C)(C)O

OrbPairId : 3856, Prediction : 0.000000

Neg data

OPReactantPairId: 1653, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21](C)(C)[C+:22]1CCCC1.CC[OH:10].CCO.CC(C)[C+]1CCCC1

OrbPairId : 1656, Prediction : 0.000000
CC[OH:10].CCO.CC(C)[C+:20]1CCCC1.CC(C)[C+]1CCCC1

OrbPairId : 1657, Prediction : 0.000000

Neg data

OPReactantPairId: 3771, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[C:20]([CH:10]=[CH:11][C-:12]1[N+](=O)[O-])(O)[I:21].C1=CC(C=C[C-]1[N+](=O)[O-])(O)I

OrbPairId : 4409, Prediction : 0.000000

Neg data

OPReactantPairId: 1921, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:13]1=[C:12]2C=CC=C[C:11]2=[CH:10]C=C1.COC1=C2C=CC=CC2=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 1947, Prediction : 0.000000

Neg data

OPReactantPairId: 3650, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([C:22](=[O:23])CCC2(C1(CCCC2)O)C)C.CC[O-:10].CC[O-].CC1C(=O)CCC2(C1(CCCC2)O)C

OrbPairId : 4272, Prediction : 0.000000

Neg data

OPReactantPairId: 3277, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CCC(=O)N[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CCC(=O)NC1=CC=CC=C1.C[C+:20]=O.C[C+]=O

OrbPairId : 3767, Prediction : 0.000000
CCC(=O)N[C:11]1=[CH:10]C=CC=C1.CCC(=O)NC1=CC=CC=C1.C[C+:20]=O.C[C+]=O

OrbPairId : 3769, Prediction : 0.000000

Neg data

OPReactantPairId: 2505, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(=O)CC[CH:10]=[C:11]([O-:12])OC.CC(=O)CCC=C([O-])OC.[OH3+]

OrbPairId : 2589, Prediction : 0.000000

Neg data

OPReactantPairId: 1842, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CCOC(=O)CC[C:20](=[O:21])Cl.CCOC(=O)CCC(=O)Cl

OrbPairId : 1863, Prediction : 0.000000

Neg data

OPReactantPairId: 3652, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)(CC)[N+](=O)[O-].CCC(C)[N+](=O)[O-].[OH-:10].[OH-]

OrbPairId : 4274, Prediction : 0.000000

Neg data

OPReactantPairId: 1629, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C)([OH:10])[Cl:21].CCOC(C)(O)Cl

OrbPairId : 1630, Prediction : 0.000000

Neg data

OPReactantPairId: 3566, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[O:21].CC=O.[CH2-:10]C#N.[CH2-]C#N

OrbPairId : 4180, Prediction : 0.000000

Neg data

OPReactantPairId: 1840, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C)([OH:10])[OH+:21]CC.CCNC(C)(O)[OH+]CC

OrbPairId : 1861, Prediction : 0.000000

Neg data

OPReactantPairId: 1544, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C=C[CH2+:20].C=C[CH2+].[Br-:10].[Br-]

OrbPairId : 1540, Prediction : 0.000000

Neg data

OPReactantPairId: 2051, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH+:21](CC)[C:20](C=C)(O)[OH:10].CC[NH+](CC)C(C=C)(O)O

OrbPairId : 2085, Prediction : 0.000000

Neg data

OPReactantPairId: 3751, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])CCC1CCCCC1=O.CC(=O)CCC1CCCCC1=O.[OH-:10].[OH-]

OrbPairId : 4386, Prediction : 0.000000

Neg data

OPReactantPairId: 1937, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(O)Cl.CC([OH2+])(O)Cl.[OH2:10].O

OrbPairId : 1964, Prediction : 0.000000

Neg data

OPReactantPairId: 3265, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.[CH:11]1=[CH:10]C2=CC=C(C=C2C=C1)C(F)(F)F.C1=CC2=CC=C(C=C2C=C1)C(F)(F)F

OrbPairId : 3707, Prediction : 0.000000
C[C+:20]=O.C[C+]=O.C1=CC2=CC=C(C=C2[CH:10]=[CH:11]1)C(F)(F)F.C1=CC2=CC=C(C=C2C=C1)C(F)(F)F

OrbPairId : 3709, Prediction : 0.000000

Neg data

OPReactantPairId: 3564, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)C(C)(C)O.CC[O-:10].CC[O-].CC(C)(CC#N)O

OrbPairId : 4178, Prediction : 0.000000

Neg data

OPReactantPairId: 3562, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])C.CC(=O)C.[CH2-:10]C#N.[CH2-]C#N

OrbPairId : 4175, Prediction : 0.000000

Neg data

OPReactantPairId: 1964, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1CC[OH+:21][CH:20](C1)[OH:10].C1CC[OH+]C(C1)O

OrbPairId : 1992, Prediction : 0.000000

Neg data

OPReactantPairId: 2306, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](O)([OH:10])[O:21]C=O.CC(O)(O)OC=O

OrbPairId : 3750, Prediction : 0.000000

Neg data

OPReactantPairId: 2306, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](O)([OH:10])[O:21]C=O.CC(O)(O)OC=O

OrbPairId : 2366, Prediction : 0.000000

Neg data

OPReactantPairId: 3753, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1[C:22](=[O:23])CCC2C1(CCCC2)O.C1CCC2(CC(=O)CCC2C1)O.[OH-:10].[OH-]

OrbPairId : 4388, Prediction : 0.000000

Neg data

OPReactantPairId: 3267, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.[CH:11]1=[CH:10]C2=CC=C(C=C2C=C1)C#N.C1=CC2=CC=C(C=C2C=C1)C#N

OrbPairId : 3712, Prediction : 0.000000
C[C+:20]=O.C[C+]=O.C1=CC2=CC=C(C=C2[CH:10]=[CH:11]1)C#N.C1=CC2=CC=C(C=C2C=C1)C#N

OrbPairId : 3713, Prediction : 0.000000

Neg data

OPReactantPairId: 1893, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[O:10]C(C)(O)O.CCOC(C)(O)O.[OH3+]

OrbPairId : 1919, Prediction : 0.000000

Neg data

OPReactantPairId: 1935, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([C:23](=[CH:22]1)Br)O)Br.C1=C[C+](C(=CC1Br)Br)O.[Br-:10].[Br-]

OrbPairId : 1962, Prediction : 0.000000

Neg data

OPReactantPairId: 2606, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].[CH2:20]=[CH:21][CH:22]=[O:23].C=CC=O

OrbPairId : 2700, Prediction : 0.000000

Neg data

OPReactantPairId: 3152, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])N(C)C.CN(C)C(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3522, Prediction : 0.000000
[H-].[H-:10].[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)N(C)C.CN(C)C(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3523, Prediction : 0.000000

Neg data

OPReactantPairId: 3763, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CCC(C)O[C:20](C)([OH:21])[O-:10].CCC(C)OC(C)(O)[O-]

OrbPairId : 4399, Prediction : 0.000000
CCC(C)[O:21][C:20](C)(O)[O-:10].CCC(C)OC(C)(O)[O-]

OrbPairId : 4400, Prediction : 0.000000

Neg data

OPReactantPairId: 3104, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](CC1=CC=CC=C1)[CH:22]=[N+:23]2CCCCC2.C=C[N:10]1CCCCC1.C=CN1CCCCC1.C1CC[N+](=CCCC2=CC=CC=C2)CC1

OrbPairId : 3455, Prediction : 0.000000

Neg data

OPReactantPairId: 1661, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.[CH2:20]=[CH:21][CH:22]=[OH+:23].C=CC=[OH+]

OrbPairId : 1666, Prediction : 0.000000

Neg data

OPReactantPairId: 2517, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]([C:21]#N)([O-:10])OC.CC(C#N)([O-])OC

OrbPairId : 2604, Prediction : 0.000000

Neg data

OPReactantPairId: 2517, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]([C:21]#N)([O-:10])OC.CC(C#N)([O-])OC

OrbPairId : 3349, Prediction : 0.000000

Neg data

OPReactantPairId: 3552, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)(CC)C#N.CCC(C)C#N.CC[O-:10].CC[O-]

OrbPairId : 4165, Prediction : 0.000000

Neg data

OPReactantPairId: 3759, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C1=CC(=C(C=C1)[N+](=O)[O-])F)[CH:22](C)[Br:23].CC(CC1=CC(=C(C=C1)[N+](=O)[O-])F)Br.[OH-:10].[OH-]

OrbPairId : 4394, Prediction : 0.000000

Neg data

OPReactantPairId: 2608, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(=O)CC[CH:10]=[CH:11][N-:12]C.CC(=O)CCC=C[N-]C.[OH3+]

OrbPairId : 2702, Prediction : 0.000000

Neg data

OPReactantPairId: 3741, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])C)C(=O)CC1=CC=CC=C1.CC(=O)CC(=O)CC1=CC=CC=C1.[OH-:10].[OH-]

OrbPairId : 4374, Prediction : 0.000000
[H:20][CH:21](C(=O)C)[C:22](=[O:23])CC1=CC=CC=C1.CC(=O)CC(=O)CC1=CC=CC=C1.[OH-:10].[OH-]

OrbPairId : 4375, Prediction : 0.000000

Neg data

OPReactantPairId: 3106, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CCC1CO1.C1C(O1)CCO

OrbPairId : 3463, Prediction : 0.000000

Neg data

OPReactantPairId: 1925, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1[C:20]([Br+:21]1)(C)CCCC[OH:10].CC1C([Br+]1)(C)CCCCO

OrbPairId : 1951, Prediction : 0.000000

Neg data

OPReactantPairId: 3550, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)([C:22](=[O:23])C)C(C)(CC)O.CCC(C)(C(C)C(=O)C)O.CC[O-:10].CC[O-]

OrbPairId : 4163, Prediction : 0.000000

Neg data

OPReactantPairId: 3273, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.C=C[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.C=CC1=CC=CC=C1

OrbPairId : 3725, Prediction : 0.000000
C[C+:20]=O.C[C+]=O.C=C[C:11]1=[CH:10]C=CC=C1.C=CC1=CC=CC=C1

OrbPairId : 3726, Prediction : 0.000000

Neg data

OPReactantPairId: 3747, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(C1CCCC1=O)[O-:10].CC(C1CCCC1=O)[O-].O

OrbPairId : 4382, Prediction : 0.000000

Neg data

OPReactantPairId: 3029, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.[CH3:20][I:21].CI

OrbPairId : 3165, Prediction : 0.000000

Neg data

OPReactantPairId: 2097, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([NH+:21](C)C)[OH:10].CC([NH+](C)C)O

OrbPairId : 3902, Prediction : 0.000000

Neg data

OPReactantPairId: 3271, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.CO[C:13]1=[C:12]([CH:11]=[CH:10]C=C1)Br.COC1=C(C=CC=C1)Br

OrbPairId : 3721, Prediction : 0.000000
C[C+:20]=O.C[C+]=O.CO[C:11]1=[CH:10]C=CC=C1Br.COC1=CC=CC=C1Br

OrbPairId : 3722, Prediction : 0.000000

Neg data

OPReactantPairId: 1927, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)O.C1=CC=C(C=C1)O.[Br:20][Br:21].BrBr

OrbPairId : 1953, Prediction : 0.000000
C1=C[CH:10]=[C:11](C=C1)O.C1=CC=C(C=C1)O.[Br:20][Br:21].BrBr

OrbPairId : 1954, Prediction : 0.000000

Neg data

OPReactantPairId: 2097, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([NH+:21](C)C)[OH:10].CC([NH+](C)C)O

OrbPairId : 2134, Prediction : 0.000000

Neg data

OPReactantPairId: 3556, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])CCCC[CH:10]=[C:11]([O-:12])OCC.CCOC(=O)CCCCC=C([O-])OCC

OrbPairId : 4169, Prediction : 0.000000

Neg data

OPReactantPairId: 3168, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21][C:1](=[CH:3]C(=O)N(C)C)CC1=CC=CC=C1.CN(C)C(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 3544, Prediction : 0.000000

Neg data

OPReactantPairId: 2507, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC[CH:20](C)[Br:21].CCC(C)Br.CC[O-:10].CC[O-]

OrbPairId : 4023, Prediction : 0.000000
[H:20][CH:21](C)[CH:22](C)[Br:23].CCC(C)Br.CC[O-:10].CC[O-]

OrbPairId : 4024, Prediction : 0.000000

Neg data

OPReactantPairId: 1844, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH+:21](CC)[C:20](C)(N)[OH:10].CC[NH+](CC)C(C)(N)O

OrbPairId : 1865, Prediction : 0.000000

Neg data

OPReactantPairId: 2507, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CC[CH:20](C)[Br:21].CCC(C)Br.CC[O-:10].CC[O-]

OrbPairId : 2591, Prediction : 0.000000
[H:20][CH:21](C)[CH:22](C)[Br:23].CCC(C)Br.CC[O-:10].CC[O-]

OrbPairId : 2592, Prediction : 0.000000

Neg data

OPReactantPairId: 3745, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)[C:22](=[O:23])C.CC(=O)CC#N.[OH-:10].[OH-]

OrbPairId : 4380, Prediction : 0.000000

Neg data

OPReactantPairId: 3749, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1CCCC[C:22]1=[O:23].C1CCC(=O)CC1.[OH-:10].[OH-]

OrbPairId : 4384, Prediction : 0.000000

Neg data

OPReactantPairId: 3469, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.CO[C:11]1=[CH:10]C2=C(C=CC=C2)C=C1.COC1=CC2=C(C=CC=C2)C=C1

OrbPairId : 4073, Prediction : 0.000000

Neg data

OPReactantPairId: 2494, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]([O-:10])(OC)[O:21]C(=O)CCC=O.CC([O-])(OC)OC(=O)CCC=O

OrbPairId : 2576, Prediction : 0.000000

Neg data

OPReactantPairId: 2624, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.CO[C:20](=[O:21])C1CCC2(CC1)OCCO2.COC(=O)C1CCC2(CC1)OCCO2

OrbPairId : 2718, Prediction : 0.000000

Neg data

OPReactantPairId: 3039, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20](CO)[Br:21].CC(CO)Br

OrbPairId : 3175, Prediction : 0.000000

Neg data

OPReactantPairId: 2622, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([C:21]#N)[O-:10].CC(C#N)[O-]

OrbPairId : 2716, Prediction : 0.000000

Neg data

OPReactantPairId: 2618, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(C)(CC1=CC=NC=C1)[O-:10].CC(C)(CC1=CC=NC=C1)[O-].[OH3+]

OrbPairId : 2712, Prediction : 0.000000

Neg data

OPReactantPairId: 1801, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](CCC(=O)NC)([OH:10])[OH+:21]CC.CCNC(CCC(=O)NC)(O)[OH+]CC

OrbPairId : 1819, Prediction : 0.000000

Neg data

OPReactantPairId: 2509, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)C[C:20](C)([O-:10])[O:21]C(=O)C=C.CC(=O)CC(C)([O-])OC(=O)C=C

OrbPairId : 2595, Prediction : 0.000000

Neg data

OPReactantPairId: 2896, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)([C:22](=[O:23])C(C)Br)Br.CC(C(=O)C(C)Br)Br.[OH-:10].[OH-]

OrbPairId : 3020, Prediction : 0.000000

Neg data

OPReactantPairId: 2509, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)C[C:20](C)([O-:10])[O:21]C(=O)C=C.CC(=O)CC(C)([O-])OC(=O)C=C

OrbPairId : 3352, Prediction : 0.000000

Neg data

OPReactantPairId: 2868, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C)C(C)Br.CC(C(=[OH+])C)Br.[OH2:10].O

OrbPairId : 2991, Prediction : 0.000000

Neg data

OPReactantPairId: 1556, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C)([OH2+:21])[O:10]CCO.CC(C)([OH2+])OCCO

OrbPairId : 1552, Prediction : 0.000000

Neg data

OPReactantPairId: 1614, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[CH:20]=[O:21].CC=O

OrbPairId : 1614, Prediction : 0.000000

Neg data

OPReactantPairId: 3782, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][O:21]C.CO.[C-:10]#CC[O-].[C-]#CC[O-]

OrbPairId : 4420, Prediction : 0.000000
[H:20][O:21]C.CO.[C-]#CC[O-:10].[C-]#CC[O-]

OrbPairId : 4421, Prediction : 0.000000

Neg data

OPReactantPairId: 2513, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)CC=C([O-])OC.CC[NH2+]CC=C([O-])OC.[OH2:10].O

OrbPairId : 2600, Prediction : 0.000000

Neg data

OPReactantPairId: 1895, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.[CH2:20]=[CH:21][C:22]#[NH+:23].C=CC#[NH+]

OrbPairId : 1921, Prediction : 0.000000

Neg data

OPReactantPairId: 2838, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C1=CC=CC=C1)([O-:10])[O:21]C(=O)CC(=O)CC2=CC=CC=C2.CCOC(C1=CC=CC=C1)([O-])OC(=O)CC(=O)CC2=CC=CC=C2

OrbPairId : 2949, Prediction : 0.000000

Neg data

OPReactantPairId: 2838, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C1=CC=CC=C1)([O-:10])[O:21]C(=O)CC(=O)CC2=CC=CC=C2.CCOC(C1=CC=CC=C1)([O-])OC(=O)CC(=O)CC2=CC=CC=C2

OrbPairId : 3449, Prediction : 0.000000

Neg data

OPReactantPairId: 2999, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)C(C=CC)Br.CC=CC(C(C)[OH2+])Br.[OH2:10].O

OrbPairId : 3133, Prediction : 0.000000

Neg data

OPReactantPairId: 3154, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH:21](C1=CC=CC=C1)[C:22](=[O:23])C.CC(=O)CC1=CC=CC=C1

OrbPairId : 3525, Prediction : 0.000000

Neg data

OPReactantPairId: 1550, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.CC(C)(C)[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CC(C)(C)C1=CC=CC=C1

OrbPairId : 3831, Prediction : 0.000000

Neg data

OPReactantPairId: 1989, ReactionConditionsId: 1

NumPos: 3, numNeg: 0, Link

Pos data
[H:20][CH:21]1CC(C[C+:22]1C)CC.CCC1CC[C+](C1)C.[OH2:10].O

OrbPairId : 2018, Prediction : 0.000000
[H:20][CH:21]1C(CC[C+:22]1C)CC.CCC1CC[C+](C1)C.[OH2:10].O

OrbPairId : 2019, Prediction : 0.000000
CCC1CC[C+:20](C1)C.CCC1CC[C+](C1)C.[OH2:10].O

OrbPairId : 2020, Prediction : 0.000000

Neg data

OPReactantPairId: 2515, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCNC[CH:10]=[C:11]([O-:12])OC.CCNCC=C([O-])OC.[OH3+]

OrbPairId : 2602, Prediction : 0.000000

Neg data

OPReactantPairId: 2519, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20]1(C=CC=C[N-:10]1)[Cl:21].CCOC1(C=CC=C[N-]1)Cl

OrbPairId : 4147, Prediction : 0.000000

Neg data

OPReactantPairId: 2519, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20]1(C=CC=C[N-:10]1)[Cl:21].CCOC1(C=CC=C[N-]1)Cl

OrbPairId : 2606, Prediction : 0.000000

Neg data

OPReactantPairId: 3362, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[O:10]C(C(CC1=CC=CC=C1)NC(=O)C)(O)O.CCOC(C(CC1=CC=CC=C1)NC(=O)C)(O)O.[OH3+]

OrbPairId : 3950, Prediction : 0.000000

Neg data

OPReactantPairId: 2212, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCNC(C)[OH:10].CCNC(C)O.[OH3+]

OrbPairId : 2313, Prediction : 0.000000

Neg data

OPReactantPairId: 2866, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:10]=[C:11](C)[OH:12].CC=C(C)O.[Br:20][Br:21].BrBr

OrbPairId : 2989, Prediction : 0.000000

Neg data

OPReactantPairId: 3479, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH:10]C(=O)C)[O-:12].CC(=CC(=O)C)[O-].C(C[CH2:20][Br:21])CBr.C(CCBr)CBr

OrbPairId : 4084, Prediction : 0.000000

Neg data

OPReactantPairId: 2178, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)C)CC1=CC=CC=C1.CC(=O)C=C(CC1=CC=CC=C1)O.[NH2-:10].[NH2-]

OrbPairId : 2223, Prediction : 0.000000

Neg data

OPReactantPairId: 2944, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]#CC.CC#C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3075, Prediction : 0.000000

Neg data

OPReactantPairId: 1570, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CC1[C:20]([OH+:21]1)(C)C.CC1C([OH+]1)(C)C

OrbPairId : 1568, Prediction : 0.000000

Neg data

OPReactantPairId: 2539, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CC[O:21][C:20](C)([O-:10])OC.CCOC(C)([O-])OC

OrbPairId : 2626, Prediction : 0.000000
CCO[C:20](C)([O-:10])[O:21]C.CCOC(C)([O-])OC

OrbPairId : 2628, Prediction : 0.000000

Neg data

OPReactantPairId: 2539, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC[O:21][C:20](C)([O-:10])OC.CCOC(C)([O-])OC

OrbPairId : 3274, Prediction : 0.000000
CCO[C:20](C)([O-:10])[O:21]C.CCOC(C)([O-])OC

OrbPairId : 3275, Prediction : 0.000000

Neg data

OPReactantPairId: 2860, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC(=[O:10])C.CCC(=O)C.[OH3+]

OrbPairId : 2978, Prediction : 0.000000

Neg data

OPReactantPairId: 2204, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH2:21].C1=C[C-:10]=C(N=C1)N.C1=C[C-]=C(N=C1)N.N

OrbPairId : 2253, Prediction : 0.000000

Neg data

OPReactantPairId: 1623, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:10][CH:20](C)[NH2+:21]C.CCOC(C)[NH2+]C

OrbPairId : 1624, Prediction : 0.000000

Neg data

OPReactantPairId: 3465, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C1CCCCC1=O)([O-:10])[O:21]CC.CCOC(C1CCCCC1=O)([O-])OCC

OrbPairId : 4069, Prediction : 0.000000

Neg data

OPReactantPairId: 2206, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C+:22](C)C.CC[C+](C)C.[OH2:10].O

OrbPairId : 2255, Prediction : 0.000000
CC[C+:20](C)C.CC[C+](C)C.[OH2:10].O

OrbPairId : 2256, Prediction : 0.000000

Neg data

OPReactantPairId: 2200, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH2:21].C1=CN=C[C-:10]=C1N.C1=CN=C[C-]=C1N.N

OrbPairId : 2248, Prediction : 0.000000

Neg data

OPReactantPairId: 2537, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C[C:20](=[O:21])OC.CC(=O)OC

OrbPairId : 3273, Prediction : 0.000000

Neg data

OPReactantPairId: 2537, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C[C:20](=[O:21])OC.CC(=O)OC

OrbPairId : 2624, Prediction : 0.000000

Neg data

OPReactantPairId: 2626, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[O-:10].C[O-].[OH3+]

OrbPairId : 2720, Prediction : 0.000000

Neg data

OPReactantPairId: 2812, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC#[C-:10].CC#[C-].C[C:20](=[O:21])C.CC(=O)C

OrbPairId : 2922, Prediction : 0.000000

Neg data

OPReactantPairId: 3049, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](C)(C)C(C)C.CC(C)[NH+](C)C.[I-:10].[I-]

OrbPairId : 3188, Prediction : 0.000000

Neg data

OPReactantPairId: 3530, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC(=O)C1CCCC1(C)[O-:10].CC(=O)C1CCCC1(C)[O-]

OrbPairId : 4137, Prediction : 0.000000

Neg data

OPReactantPairId: 2260, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)OC(=O)CC[C:20](=[O:21])Cl.CC(=O)OC(=O)CCC(=O)Cl.C[NH2:10].CN

OrbPairId : 2317, Prediction : 0.000000

Neg data

OPReactantPairId: 1878, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21](C)(CC)[C+:22](C)CC.CCC(C)[C+](C)CC.CC[OH:10].CCO

OrbPairId : 1901, Prediction : 0.000000
CCC(C)[C+:20](C)CC.CCC(C)[C+](C)CC.CC[OH:10].CCO

OrbPairId : 1902, Prediction : 0.000000

Neg data

OPReactantPairId: 2083, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC1(C[O:10]1)C.CC1(CO1)C.[OH3+]

OrbPairId : 2120, Prediction : 0.000000

Neg data

OPReactantPairId: 2270, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.CN(C)[C:11](=[CH2:10])[O-:12].CN(C)C(=C)[O-]

OrbPairId : 3258, Prediction : 0.000000

Neg data

OPReactantPairId: 2270, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.CN(C)[C:11](=[CH2:10])[O-:12].CN(C)C(=C)[O-]

OrbPairId : 2327, Prediction : 0.000000

Neg data

OPReactantPairId: 2814, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:10]=[CH:11][N:12]1CCCCC1.C=CN1CCCCC1.C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr

OrbPairId : 3454, Prediction : 0.000000

Neg data

OPReactantPairId: 3632, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(=O)CC[CH:10]=[C:11]([CH3:4])[O-:12].CC(=O)CCC=C(C)[O-].O

OrbPairId : 4252, Prediction : 0.000000

Neg data

OPReactantPairId: 2814, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:10]=[CH:11][N:12]1CCCCC1.C=CN1CCCCC1.C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr

OrbPairId : 2924, Prediction : 0.000000

Neg data

OPReactantPairId: 3269, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.C#C[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.C#CC1=CC=CC=C1

OrbPairId : 3715, Prediction : 0.000000
C[C+:20]=O.C[C+]=O.C#C[C:11]1=[CH:10]C=CC=C1.C#CC1=CC=CC=C1

OrbPairId : 3716, Prediction : 0.000000

Neg data

OPReactantPairId: 3568, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)C(C)O.CC[O-:10].CC[O-].CC(CC#N)O

OrbPairId : 4182, Prediction : 0.000000

Neg data

OPReactantPairId: 3449, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])CC[C:11](=[CH2:10])[O-:12].CC(=O)CCC(=C)[O-]

OrbPairId : 4053, Prediction : 0.000000

Neg data

OPReactantPairId: 2081, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:20]=[CH:21][C:22]#[NH+:23].C=CC#[NH+].[OH2:10].O

OrbPairId : 2118, Prediction : 0.000000

Neg data

OPReactantPairId: 2272, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1CC2(CCC1C(C3=CC=CC=C3)(C4=CC=CC=C4)O)OCC[O:10]2.C1CC2(CCC1C(C3=CC=CC=C3)(C4=CC=CC=C4)O)OCCO2.[OH3+]

OrbPairId : 2331, Prediction : 0.000000

Neg data

OPReactantPairId: 3477, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](CCCCBr)(C(=O)OCC)[C:22](=[O:23])OCC.CC[O-:10].CC[O-].CCOC(=O)C(CCCCBr)C(=O)OCC

OrbPairId : 4081, Prediction : 0.000000

Neg data

OPReactantPairId: 3630, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)[C:20]([OH:21])([O-:10])OC2=CC=CC=C2.C1=CC=C(C=C1)C(O)([O-])OC2=CC=CC=C2

OrbPairId : 4249, Prediction : 0.000000
C1=CC=C(C=C1)[C:20](O)([O-:10])[O:21]C2=CC=CC=C2.C1=CC=C(C=C1)C(O)([O-])OC2=CC=CC=C2

OrbPairId : 4250, Prediction : 0.000000

Neg data

OPReactantPairId: 3800, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21]1CCCC2C1(CCCC2)O.C1CCC(=O)C(C1)CCC[NH2:10].C1CCC(=O)C(C1)CCCN.C1CCC2(C(C1)CCC[NH2+]2)O

OrbPairId : 4441, Prediction : 0.000000

Neg data

OPReactantPairId: 1574, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]([NH+:21](C)C)[O:10]CC.CCC([NH+](C)C)OCC

OrbPairId : 1571, Prediction : 0.000000

Neg data

OPReactantPairId: 1939, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](O)([OH:10])[Cl:21].CC(O)(O)Cl

OrbPairId : 1965, Prediction : 0.000000

Neg data

OPReactantPairId: 1995, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[C:20](=[OH+:21])C=C.CC(=O)OC(=[OH+])C=C.[OH2:10].O

OrbPairId : 2027, Prediction : 0.000000

Neg data

OPReactantPairId: 2612, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH:22]=[CH:23][C:24](=[O:25])C.CC[O-:10].CC[O-].CC=CC(=O)C

OrbPairId : 3332, Prediction : 0.000000

Neg data

OPReactantPairId: 2612, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH:22]=[CH:23][C:24](=[O:25])C.CC[O-:10].CC[O-].CC=CC(=O)C

OrbPairId : 2706, Prediction : 0.000000

Neg data

OPReactantPairId: 2864, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[CH2:10]=[C:11](O)[OH:12].C=C(O)O.[OH3+]

OrbPairId : 2987, Prediction : 0.000000

Neg data

OPReactantPairId: 1920, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C=C[CH:20]1C[Br+:21]1.C=CC1C[Br+]1.[Br-:10].[Br-]

OrbPairId : 1946, Prediction : 0.000000

Neg data

OPReactantPairId: 3360, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[OH+:21])C(CC1=CC=CC=C1)NC(=O)C.CCOC(=[OH+])C(CC1=CC=CC=C1)NC(=O)C.[OH2:10].O

OrbPairId : 3948, Prediction : 0.000000

Neg data

OPReactantPairId: 1582, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[CH:20]=[N+:21](C)C.CC=[N+](C)C

OrbPairId : 1581, Prediction : 0.000000

Neg data

OPReactantPairId: 1572, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[CH:22]=[N+:23](C)C.CCC=[N+](C)C.CC=C[N:10](C)C.CC=CN(C)C

OrbPairId : 1569, Prediction : 0.000000

Neg data

OPReactantPairId: 2725, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21](CC)C(C=C)([O-])Cl.CC[OH+]C(C=C)([O-])Cl.[OH2:10].O

OrbPairId : 2827, Prediction : 0.000000

Neg data

OPReactantPairId: 1915, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2+:21][CH:20](C)[N:10](C)C.CC[NH2+]C(C)N(C)C

OrbPairId : 1941, Prediction : 0.000000

Neg data

OPReactantPairId: 3600, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:21][C:20](C)(CC#N)[O-:10].CCOC(C)(CC#N)[O-]

OrbPairId : 4219, Prediction : 0.000000

Neg data

OPReactantPairId: 2983, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C)CBr.CC(=[OH+])CBr.[OH2:10].O

OrbPairId : 3114, Prediction : 0.000000

Neg data

OPReactantPairId: 3027, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C1CCC(CC1)NC(=[N:5]C2CCCCC2)[O:21][C:20]3(CCCCN3)[O-:10].C1CCC(CC1)NC(=NC2CCCCC2)OC3(CCCCN3)[O-]

OrbPairId : 3163, Prediction : 0.000000

Neg data

OPReactantPairId: 2254, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].CC(C)[CH2:20][Br:21].CC(C)CBr

OrbPairId : 2309, Prediction : 0.000000
[H:20][C:21](C)(C)[CH2:22][Br:23].CC[O-:10].CC[O-].CC(C)CBr

OrbPairId : 2311, Prediction : 0.000000

Neg data

OPReactantPairId: 3457, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CCO[C:11](=[CH:10]CC(C(=O)OCC)C(=O)OCC)[O-:12].CCOC(=CCC(C(=O)OCC)C(=O)OCC)[O-]

OrbPairId : 4061, Prediction : 0.000000

Neg data

OPReactantPairId: 3281, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C(=C(C)O)C)(O)OCC.CCOC(C(=C(C)O)C)([OH2+])O.[OH2:10].O

OrbPairId : 3779, Prediction : 0.000000

Neg data

OPReactantPairId: 1917, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)CC[CH:20]=[OH+:21].CC(=O)CCC=[OH+].C(C[OH:10])O.C(CO)O

OrbPairId : 1943, Prediction : 0.000000

Neg data

OPReactantPairId: 3025, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21]1CCCCC1([O-])OC(=NC2CCCCC2)NC3CCCCC3.C1CCC(CC1)NC(=O)[N-:10]C2CCCCC2.C1CCC(CC1)NC(=O)[N-]C2CCCCC2.C1CCC(CC1)NC(=NC2CCCCC2)OC3(CCCC[NH2+]3)[O-]

OrbPairId : 3161, Prediction : 0.000000

Neg data

OPReactantPairId: 3626, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([CH:22]=[O:23])C(C1=CC=CC=C1)O.C1=CC=C(C=C1)C(CC=O)O.[OH-:10].[OH-]

OrbPairId : 4245, Prediction : 0.000000

Neg data

OPReactantPairId: 2802, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CO[C:11](=[CH:10]CC#N)[O-:12].COC(=CCC#N)[O-].[OH3+]

OrbPairId : 2911, Prediction : 0.000000

Neg data

OPReactantPairId: 1929, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC(=C[CH:10]=[C:11]1O)Br.C1=CC(=CC=C1O)Br.[Br:20][Br:21].BrBr

OrbPairId : 1956, Prediction : 0.000000

Neg data

OPReactantPairId: 3166, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]CC#N.C(C#N)O

OrbPairId : 3542, Prediction : 0.000000

Neg data

OPReactantPairId: 2435, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]([CH:10]=[C:11](C1=C(C=CC=C1)Cl)[O-:12])(C2=C(C=CC=C2)Cl)[OH:21].CC(C=C(C1=C(C=CC=C1)Cl)[O-])(C2=C(C=CC=C2)Cl)O

OrbPairId : 2509, Prediction : 0.000000

Neg data

OPReactantPairId: 3534, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CCOC(=O)C(C1CCC[C:11](=[CH:10]1)[O-:12])C(=O)C.CCOC(=O)C(C1CCCC(=C1)[O-])C(=O)C

OrbPairId : 4141, Prediction : 0.000000

Neg data

OPReactantPairId: 1606, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20]1(C([OH+:21]1)C)C.CCC1(C([OH+]1)C)C.CC[OH:10].CCO

OrbPairId : 1607, Prediction : 0.000000

Neg data

OPReactantPairId: 3455, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:22](=[O:23])[CH:21]=[CH2:20].CCOC(=O)C=C.CCO[C:11](=[CH:10]C(=O)OCC)[O-:12].CCOC(=CC(=O)OCC)[O-]

OrbPairId : 4059, Prediction : 0.000000

Neg data

OPReactantPairId: 3392, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]12[CH:5]=[CH:6]C=C[C+:22]1CCC2C.CC1CC[C+]2C1C=CC=C2.[F-:10].[F-]

OrbPairId : 3984, Prediction : 0.000000

Neg data

OPReactantPairId: 2705, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:20]=[CH:21][CH:22]=[O:23].C=CC=O.[C-:10]#N.[C-]#N

OrbPairId : 3215, Prediction : 0.000000

Neg data

OPReactantPairId: 2705, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:20]=[CH:21][CH:22]=[O:23].C=CC=O.[C-:10]#N.[C-]#N

OrbPairId : 2806, Prediction : 0.000000

Neg data

OPReactantPairId: 3164, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH:21]([C:22](=[O:23])C)C(=O)CC1=CC=CC=C1.CC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3538, Prediction : 0.000000
[H-].[H-:10].[H:20][CH:21](C(=O)C)[C:22](=[O:23])CC1=CC=CC=C1.CC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3539, Prediction : 0.000000

Neg data

OPReactantPairId: 2192, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](=[O:21])Cl.CCC(=O)Cl.C[C:11](=[CH:10]C(=O)OC)[O-:12].CC(=CC(=O)OC)[O-]

OrbPairId : 2238, Prediction : 0.000000

Neg data

OPReactantPairId: 2810, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)CC=C(N)[O-].CC[NH2+]CC=C(N)[O-].[OH2:10].O

OrbPairId : 2920, Prediction : 0.000000

Neg data

OPReactantPairId: 2192, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](=[O:21])Cl.CCC(=O)Cl.C[C:11](=[CH:10]C(=O)OC)[O-:12].CC(=CC(=O)OC)[O-]

OrbPairId : 3159, Prediction : 0.000000

Neg data

OPReactantPairId: 3453, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1(CC[C:11](=[CH:10]1)[O-:12])[OH:21].CC1(CCC(=C1)[O-])O

OrbPairId : 4057, Prediction : 0.000000

Neg data

OPReactantPairId: 2707, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].CO[C:22](=[O:23])[CH:21]=[CH2:20].COC(=O)C=C

OrbPairId : 2808, Prediction : 0.000000

Neg data

OPReactantPairId: 2085, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])NC.CC(=[OH+])NC.[OH2:10].O

OrbPairId : 2122, Prediction : 0.000000

Neg data

OPReactantPairId: 2707, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].CO[C:22](=[O:23])[CH:21]=[CH2:20].COC(=O)C=C

OrbPairId : 3430, Prediction : 0.000000

Neg data

OPReactantPairId: 3622, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C1=CC=NC=C1.C1=CN=CC=C1O.[OH-:10].[OH-]

OrbPairId : 4241, Prediction : 0.000000

Neg data

OPReactantPairId: 2967, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](C)(C)C(CC)(CC)C(C)C.CCC(CC)(C(C)C)[NH+](C)C.[I-:10].[I-]

OrbPairId : 3099, Prediction : 0.000000

Neg data

OPReactantPairId: 2737, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC(C)(N1CCCC1)[O-:10].CCC(C)(N1CCCC1)[O-].[OH3+]

OrbPairId : 2842, Prediction : 0.000000

Neg data

OPReactantPairId: 1809, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C(CC[OH:10])C[CH:20]=[OH+:21].C(CCO)CC=[OH+]

OrbPairId : 1827, Prediction : 0.000000

Neg data

OPReactantPairId: 2830, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[N+](=O)[O-].CC[N+](=O)[O-].CC[O-:10].CC[O-]

OrbPairId : 2940, Prediction : 0.000000

Neg data

OPReactantPairId: 2830, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[N+](=O)[O-].CC[N+](=O)[O-].CC[O-:10].CC[O-]

OrbPairId : 3341, Prediction : 0.000000

Neg data

OPReactantPairId: 2991, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC[CH:20]1C([Br+:21]1)C.CCC1C([Br+]1)C.[OH2:10].O

OrbPairId : 3123, Prediction : 0.000000
CCC1[CH:20]([Br+:21]1)C.CCC1C([Br+]1)C.[OH2:10].O

OrbPairId : 3124, Prediction : 0.000000

Neg data

OPReactantPairId: 3035, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH2:22][N+:23](C)(C)C.CC[N+](C)(C)C.[OH-:10].[OH-]

OrbPairId : 3171, Prediction : 0.000000

Neg data

OPReactantPairId: 3628, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([CH:22]=[O:23])C(C)O.CC(CC=O)O.[OH-:10].[OH-]

OrbPairId : 4247, Prediction : 0.000000

Neg data

OPReactantPairId: 1784, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CC(C)[CH+:20]C1=CC=CC=C1.CC(C)[CH+]C1=CC=CC=C1

OrbPairId : 1804, Prediction : 0.000000

Neg data

OPReactantPairId: 2969, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCC(CC)(C(C)C)[N:10](C)C.CCC(CC)(C(C)C)N(C)C.[CH3:20][I:21].CI

OrbPairId : 3101, Prediction : 0.000000

Neg data

OPReactantPairId: 1903, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C2[C+:22]1C=CC=C2)Br.C1=CC2=CC=CC([C+]2C=C1)Br.[Br-:10].[Br-]

OrbPairId : 1929, Prediction : 0.000000

Neg data

OPReactantPairId: 3291, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCOC(=O)C(C)C(O)(O)[O:10]CC.CCOC(=O)C(C)C(O)(O)OCC.[OH3+]

OrbPairId : 3794, Prediction : 0.000000

Neg data

OPReactantPairId: 2836, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:10]=[C:11](N(C)C)[O-:12].CC=C(N(C)C)[O-].[Br:20][Br:21].BrBr

OrbPairId : 2946, Prediction : 0.000000

Neg data

OPReactantPairId: 2993, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CC)C(C)Br.CCC(C(C)Br)[OH2+].[OH2:10].O

OrbPairId : 3125, Prediction : 0.000000

Neg data

OPReactantPairId: 2262, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC1CCCC[CH:20]1[Br:21].CC1CCCCC1Br.[C-:10]#N.[C-]#N

OrbPairId : 2319, Prediction : 0.000000

Neg data

OPReactantPairId: 3378, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.C1=CC2=C(C=C1)[CH:10]=[C:11](C=C2)Br.C1=CC2=C(C=C1)C=C(C=C2)Br

OrbPairId : 3969, Prediction : 0.000000

Neg data

OPReactantPairId: 2347, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1C[CH:20]([O:21]C1)[O-:10].C1CC(OC1)[O-]

OrbPairId : 3377, Prediction : 0.000000

Neg data

OPReactantPairId: 1786, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCC(=O)O[C:13]1=[C:12]([CH:11]=[CH:10]C=C1)Br.CCC(=O)OC1=C(C=CC=C1)Br.[Br:20][Br:21].BrBr

OrbPairId : 3619, Prediction : 0.000000

Neg data

OPReactantPairId: 1786, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC(=O)O[C:13]1=[C:12]([CH:11]=[CH:10]C=C1)Br.CCC(=O)OC1=C(C=CC=C1)Br.[Br:20][Br:21].BrBr

OrbPairId : 1803, Prediction : 0.000000

Neg data

OPReactantPairId: 2250, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[CH2:20][Br:21].CC(C)CBr.[C-:10]#N.[C-]#N

OrbPairId : 2303, Prediction : 0.000000

Neg data

OPReactantPairId: 3158, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]C(=CC(=O)[O-])CC1=CC=CC=C1.C1=CC=C(C=C1)CC(=CC(=O)[O-])O

OrbPairId : 3530, Prediction : 0.000000

Neg data

OPReactantPairId: 2739, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[N+:23]1CCCC1)CC.CCC(=[N+]1CCCC1)C.[OH2:10].O

OrbPairId : 2845, Prediction : 0.000000

Neg data

OPReactantPairId: 2834, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C:22](=[O:23])N(C)C.CCC(=O)N(C)C.[OH-:10].[OH-]

OrbPairId : 2945, Prediction : 0.000000

Neg data

OPReactantPairId: 3059, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](C)(C)C1C(CC=CC1C)C.CC1CC=CC(C1[NH+](C)C)C.[I-:10].[I-]

OrbPairId : 3208, Prediction : 0.000000

Neg data

OPReactantPairId: 2349, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH:10]CCCC[CH2:20][Br:21])[O-:12].CC(=CCCCCCBr)[O-]

OrbPairId : 3432, Prediction : 0.000000

Neg data

OPReactantPairId: 2349, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH:10]CCCC[CH2:20][Br:21])[O-:12].CC(=CCCCCCBr)[O-]

OrbPairId : 2413, Prediction : 0.000000

Neg data

OPReactantPairId: 2719, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1(OCC(=O)[O:21]1)[O-:10].CC1(OCC(=O)O1)[O-]

OrbPairId : 3513, Prediction : 0.000000

Neg data

OPReactantPairId: 3558, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC(=O)CC(C1=CC=CC=C1)[O-:10].CC(=O)CC(C1=CC=CC=C1)[O-]

OrbPairId : 4172, Prediction : 0.000000

Neg data

OPReactantPairId: 2719, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1(OCC(=O)[O:21]1)[O-:10].CC1(OCC(=O)O1)[O-]

OrbPairId : 2820, Prediction : 0.000000

Neg data

OPReactantPairId: 2909, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1CC=CC([CH:22]1[Br:23])C.CC1C=CCCC1Br.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3034, Prediction : 0.000000

Neg data

OPReactantPairId: 2256, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)C(C)[O-].CC[NH2+]C(C)[O-].[OH2:10].O

OrbPairId : 2310, Prediction : 0.000000

Neg data

OPReactantPairId: 2715, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C(CO)[CH:20]([C:21]#N)[O-:10].C(CO)C(C#N)[O-]

OrbPairId : 2817, Prediction : 0.000000

Neg data

OPReactantPairId: 1819, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](=[O+:21]CC)OCC.CCC(=[O+]CC)OCC.CC[OH:10].CCO

OrbPairId : 1838, Prediction : 0.000000

Neg data

OPReactantPairId: 1998, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C=C)(O)OC(=O)C.CC(=O)OC(C=C)([OH2+])O.[OH2:10].O

OrbPairId : 2030, Prediction : 0.000000

Neg data

OPReactantPairId: 2208, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](C)(C)[OH2+:21].CCC(C)(C)[OH2+]

OrbPairId : 2258, Prediction : 0.000000

Neg data

OPReactantPairId: 2905, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:10](=[C:11](C(C)(C)Br)[O-:12])C.CC(=C(C(C)(C)Br)[O-])C.[Br:20][Br:21].BrBr

OrbPairId : 3030, Prediction : 0.000000

Neg data

OPReactantPairId: 2026, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(CC)O.CCC(=[OH+])O.[OH2:10].O

OrbPairId : 3803, Prediction : 0.000000

Neg data

OPReactantPairId: 2903, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[C:11](=[C:10](C)C)[O-:12].CC(C)C(=C(C)C)[O-].[Br:20][Br:21].BrBr

OrbPairId : 3028, Prediction : 0.000000

Neg data

OPReactantPairId: 2026, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(CC)O.CCC(=[OH+])O.[OH2:10].O

OrbPairId : 2059, Prediction : 0.000000

Neg data

OPReactantPairId: 2713, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=C)[CH2:20][Br:21].CC(=C)CBr.[C-:10]#N.[C-]#N

OrbPairId : 2815, Prediction : 0.000000

Neg data

OPReactantPairId: 1794, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[C:20](=[OH+:21])O.CC(=[OH+])O

OrbPairId : 1812, Prediction : 0.000000

Neg data

OPReactantPairId: 2327, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C1=C(C=CC=C1)C(=O)O)O.C1=CC(=C(C=C1)C(=O)O)C(=[OH+])O.[OH2:10].O

OrbPairId : 2387, Prediction : 0.000000

Neg data

OPReactantPairId: 2327, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C1=C(C=CC=C1)C(=O)O)O.C1=CC(=C(C=C1)C(=O)O)C(=[OH+])O.[OH2:10].O

OrbPairId : 3813, Prediction : 0.000000

Neg data

OPReactantPairId: 3174, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])OC.COC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3552, Prediction : 0.000000
[H-].[H-:10].[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)OC.COC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3553, Prediction : 0.000000

Neg data

OPReactantPairId: 1805, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC1CCCC[C:20]1([N:10]2CCCC2)[OH2+:21].CC1CCCCC1(N2CCCC2)[OH2+]

OrbPairId : 2541, Prediction : 0.000000

Neg data

OPReactantPairId: 3780, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C.CO.C1CCC(C(C1)CCCN)[O-:10].C1CCC(C(C1)CCCN)[O-]

OrbPairId : 4418, Prediction : 0.000000

Neg data

OPReactantPairId: 2028, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[NH+:21]C.CC=[NH+]C.[OH2:10].O

OrbPairId : 2061, Prediction : 0.000000

Neg data

OPReactantPairId: 2028, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[NH+:21]C.CC=[NH+]C.[OH2:10].O

OrbPairId : 3875, Prediction : 0.000000

Neg data

OPReactantPairId: 2919, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21]C1=CC=NC=C1.CC1=CC=NC=C1.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3049, Prediction : 0.000000

Neg data

OPReactantPairId: 1792, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])C.CC(=O)C.[C-:10]#N.[C-]#N

OrbPairId : 1810, Prediction : 0.000000

Neg data

OPReactantPairId: 2325, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCNC[CH:10]=[CH:11][N-:12]C.CCNCC=C[N-]C.[OH3+]

OrbPairId : 2385, Prediction : 0.000000

Neg data

OPReactantPairId: 1792, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])C.CC(=O)C.[C-:10]#N.[C-]#N

OrbPairId : 2636, Prediction : 0.000000

Neg data

OPReactantPairId: 2323, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)CC=C[N-]C.CC[NH2+]CC=C[N-]C.[OH2:10].O

OrbPairId : 2383, Prediction : 0.000000

Neg data

OPReactantPairId: 2758, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]([CH:10]=[C:11](C1=C(C=CC=C1)F)[O-:12])(C2=C(C=CC=C2)F)[OH:21].CC(C=C(C1=C(C=CC=C1)F)[O-])(C2=C(C=CC=C2)F)O

OrbPairId : 2865, Prediction : 0.000000

Neg data

OPReactantPairId: 2763, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C

OrbPairId : 3429, Prediction : 0.000000

Neg data

OPReactantPairId: 3033, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC=CC1CCCC(C1[NH2:10])C.CC=CC1CCCC(C1N)C.[CH3:20][I:21].CI

OrbPairId : 3170, Prediction : 0.000000

Neg data

OPReactantPairId: 2997, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C=CC)C(C)Br.CC=CC(C(C)Br)[OH2+].[OH2:10].O

OrbPairId : 3131, Prediction : 0.000000

Neg data

OPReactantPairId: 1790, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C)([OH:10])[Cl:21].CCNC(C)(O)Cl

OrbPairId : 1808, Prediction : 0.000000

Neg data

OPReactantPairId: 2709, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)C(C)([O-])Cl.CC[NH2+]C(C)([O-])Cl.[OH2:10].O

OrbPairId : 2811, Prediction : 0.000000

Neg data

OPReactantPairId: 2917, ReactionConditionsId: 7

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21]1CCC([C:22]1(C)[Br:23])Br.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CC1(CCCC1Br)Br

OrbPairId : 3046, Prediction : 0.000000
[H:20][CH:21]1CCC([CH:22]1[Br:23])(C)Br.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CC1(CCCC1Br)Br

OrbPairId : 3047, Prediction : 0.000000

Neg data

OPReactantPairId: 3445, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])CCC[C:11](=[CH2:10])[O-:12].CC(=O)CCCC(=C)[O-]

OrbPairId : 4049, Prediction : 0.000000

Neg data

OPReactantPairId: 2098, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](CCC#N)(O)[OH:10].CC[OH+]C(CCC#N)(O)O

OrbPairId : 2135, Prediction : 0.000000

Neg data

OPReactantPairId: 2911, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)(CC)[N+](=O)[O-].CCC(C)[N+](=O)[O-].CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3036, Prediction : 0.000000

Neg data

OPReactantPairId: 3447, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC1(CCCC(=O)C1)[O-:10].CC1(CCCC(=O)C1)[O-]

OrbPairId : 4050, Prediction : 0.000000

Neg data

OPReactantPairId: 1829, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:10][CH:20](C)[OH2+:21].CCOC(C)[OH2+]

OrbPairId : 1847, Prediction : 0.000000

Neg data

OPReactantPairId: 2337, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=C[N:23]=[CH:22][CH:21]=[C:20]1Cl.C1=CN=CC=C1Cl

OrbPairId : 2400, Prediction : 0.000000

Neg data

OPReactantPairId: 2337, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=C[N:23]=[CH:22][CH:21]=[C:20]1Cl.C1=CN=CC=C1Cl

OrbPairId : 4157, Prediction : 0.000000

Neg data

OPReactantPairId: 1753, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)N)Br.C1=C[C+](C=CC1Br)N.[Br-:10].[Br-]

OrbPairId : 1767, Prediction : 0.000000

Neg data

OPReactantPairId: 1817, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20]([NH3+:21])(OCC)[O:10]CC.CCC([NH3+])(OCC)OCC

OrbPairId : 1836, Prediction : 0.000000

Neg data

OPReactantPairId: 2717, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])OC(=O)C[O-:10].CC(=O)OC(=O)C[O-]

OrbPairId : 2819, Prediction : 0.000000

Neg data

OPReactantPairId: 2331, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1=[C:22](C(=CC=C1)C)[Br:23].CC1=CC=CC=C1Br.[NH2-:10].[NH2-]

OrbPairId : 2394, Prediction : 0.000000

Neg data

OPReactantPairId: 2717, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])OC(=O)C[O-:10].CC(=O)OC(=O)C[O-]

OrbPairId : 3511, Prediction : 0.000000

Neg data

OPReactantPairId: 2907, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)(CC)C#N.CCC(C)C#N.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3032, Prediction : 0.000000

Neg data

OPReactantPairId: 2440, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)C(CCC(=O)N(C)C)([O-])OCC.CCOC(CCC(=O)N(C)C)([NH2+]C)[O-].[OH2:10].O

OrbPairId : 2515, Prediction : 0.000000

Neg data

OPReactantPairId: 3318, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C(C)(C)[O-])O.CC(C)([NH2+]O)[O-].[NH2:10]O.NO

OrbPairId : 3900, Prediction : 0.000000

Neg data

OPReactantPairId: 3342, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C(C(=O)OCC)NC(=O)C)(O)OCC.CCOC(=O)C(C([OH2+])(O)OCC)NC(=O)C.[OH2:10].O

OrbPairId : 3929, Prediction : 0.000000

Neg data

OPReactantPairId: 2351, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)C(C)(C)[O-].CC[NH2+]C(C)(C)[O-].[OH2:10].O

OrbPairId : 2416, Prediction : 0.000000

Neg data

OPReactantPairId: 2344, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[C:20](C)([O-:10])[Cl:21].CC(=O)OC(C)([O-])Cl

OrbPairId : 3287, Prediction : 0.000000

Neg data

OPReactantPairId: 3798, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH2+:21]CC.CC[NH3+].CCNC(C)(C)[OH:10].CCNC(C)(C)O

OrbPairId : 4439, Prediction : 0.000000

Neg data

OPReactantPairId: 1936, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])Cl.CC(=[OH+])Cl.[OH2:10].O

OrbPairId : 3841, Prediction : 0.000000

Neg data

OPReactantPairId: 3340, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1OC=C)C(C)OC2=CC=CC=C2.CC(C1C=CC=C[C+]1OC=C)OC2=CC=CC=C2.[F-:10].[F-]

OrbPairId : 3926, Prediction : 0.000000

Neg data

OPReactantPairId: 3041, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)C(C)(C)CC.CCC(C)(C)[NH2+]C.[I-:10].[I-]

OrbPairId : 3178, Prediction : 0.000000

Neg data

OPReactantPairId: 3538, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[C:11](=[C:10](C1=CC=CC=C1)[C:20](CC2=CC=CC=C2)(C(C)C)[OH:21])[O-:12].CC(C)C(=C(C1=CC=CC=C1)C(CC2=CC=CC=C2)(C(C)C)O)[O-]

OrbPairId : 4145, Prediction : 0.000000

Neg data

OPReactantPairId: 3459, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH:21]C(=O)C.CC[O-:10].CC[O-].CC(=O)N

OrbPairId : 4063, Prediction : 0.000000

Neg data

OPReactantPairId: 2619, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC=C[C:20](C)([C:10](=[C:11](C)[O-:12])C=C)[OH:21].CC=CC(C)(C(=C(C)[O-])C=C)O

OrbPairId : 2713, Prediction : 0.000000

Neg data

OPReactantPairId: 1635, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1[CH:20]([OH+:21]1)CCO.C1C([OH+]1)CCO.C1C(O1)CC[OH:10].C1C(O1)CCO

OrbPairId : 1636, Prediction : 0.000000

Neg data

OPReactantPairId: 1835, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)CCC=O.CC[NH2:10].CCN.C(CC(=O)O)C=O

OrbPairId : 1856, Prediction : 0.000000

Neg data

OPReactantPairId: 1864, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CC(=O)CCCCCC[CH:20]=[OH+:21].CC(=O)CCCCCCC=[OH+]

OrbPairId : 1887, Prediction : 0.000000

Neg data

OPReactantPairId: 3043, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](C)(C)C1C(CCCC1C=CC)C.CC=CC1CCCC(C1[NH+](C)C)C.[I-:10].[I-]

OrbPairId : 3180, Prediction : 0.000000

Neg data

OPReactantPairId: 2420, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[C:11](=[CH:10]CC#N)[O-:12].CC(=CCC#N)[O-].[OH3+]

OrbPairId : 2492, Prediction : 0.000000

Neg data

OPReactantPairId: 1833, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C(C=O)[OH:10].C(C=O)O.C([CH:20]=[O+:21]CC=O)O.C(C=[O+]CC=O)O

OrbPairId : 1853, Prediction : 0.000000

Neg data

OPReactantPairId: 2915, ReactionConditionsId: 7

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])C)C(=O)CC1=CC=CC=C1.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3040, Prediction : 0.000000
[H:20][CH:21](C(=O)C)[C:22](=[O:23])CC1=CC=CC=C1.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3041, Prediction : 0.000000

Neg data

OPReactantPairId: 1741, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1[CH:20]([OH+:21]1)[OH:10].C1C([OH+]1)O

OrbPairId : 1754, Prediction : 0.000000

Neg data

OPReactantPairId: 2422, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)C[CH:20]([NH:10]C)[OH2+:21].CC(=O)CC(NC)[OH2+]

OrbPairId : 2495, Prediction : 0.000000

Neg data

OPReactantPairId: 2474, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:10](=[C:11](C)[O-:12])C.CC(=C(C)[O-])C.[CH3:20][Br:21].CBr

OrbPairId : 2553, Prediction : 0.000000

Neg data

OPReactantPairId: 2474, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:10](=[C:11](C)[O-:12])C.CC(=C(C)[O-])C.[CH3:20][Br:21].CBr

OrbPairId : 3373, Prediction : 0.000000

Neg data

OPReactantPairId: 2048, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)[C:20](=[OH+:21])C=C.CCN(CC)C(=[OH+])C=C.[OH2:10].O

OrbPairId : 2082, Prediction : 0.000000

Neg data

OPReactantPairId: 3051, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCC(C)(C)[N:10](C)C.CCC(C)(C)N(C)C.[CH3:20][I:21].CI

OrbPairId : 3190, Prediction : 0.000000

Neg data

OPReactantPairId: 3397, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([C:5]2=[C:6](C=CC=C2)C=C[C+:22]1C)C(C)C.C[C+]1C=CC2=C(C1C(C)C)C=CC=C2.[F-:10].[F-]

OrbPairId : 3989, Prediction : 0.000000

Neg data

OPReactantPairId: 1676, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.C[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CC1=CC=CC=C1

OrbPairId : 1684, Prediction : 0.000000
C[CH+:20]C.C[CH+]C.C[C:11]1=[CH:10]C=CC=C1.CC1=CC=CC=C1

OrbPairId : 1685, Prediction : 0.000000

Neg data

OPReactantPairId: 2975, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].C(CO)C[O-:10].C(CO)C[O-].O

OrbPairId : 3107, Prediction : 0.000000

Neg data

OPReactantPairId: 3376, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=C(C=C2)[N+](=O)[O-])C(C)C.CC(C)C1[CH+]C=CC2=C1C=C(C=C2)[N+](=O)[O-].[F-:10].[F-]

OrbPairId : 3967, Prediction : 0.000000

Neg data

OPReactantPairId: 2428, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[Li:11][O:10]C(CC#N)(C1=CC=CC=C1)C2=CC=CC=C2.[Li]OC(CC#N)(C1=CC=CC=C1)C2=CC=CC=C2.[OH3+]

OrbPairId : 2502, Prediction : 0.000000

Neg data

OPReactantPairId: 2452, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][CH:10](C)CC.[Li]C(C)CC.CC1[CH2:20][O:21]1.CC1CO1

OrbPairId : 2528, Prediction : 0.000000

Neg data

OPReactantPairId: 2973, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)C#N.CCC#N.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3106, Prediction : 0.000000

Neg data

OPReactantPairId: 3374, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1C=C)C(C)C2=CC=CC=C2.CC(C1C=CC=C[C+]1C=C)C2=CC=CC=C2.[F-:10].[F-]

OrbPairId : 3964, Prediction : 0.000000

Neg data

OPReactantPairId: 3057, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)C1C(CC=CC1C)C.CC1CC=CC(C1[NH2+]C)C.[I-:10].[I-]

OrbPairId : 3206, Prediction : 0.000000

Neg data

OPReactantPairId: 1934, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[C:13](=[C:12]([CH:11]=[CH:10]1)Br)O.C1=CC(=C(C=C1)Br)O.[Br:20][Br:21].BrBr

OrbPairId : 3631, Prediction : 0.000000

Neg data

OPReactantPairId: 2355, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:11](=[CH:10]C(=O)OCC)[O-:12].CCOC(=CC(=O)OCC)[O-].C[C:22](=[O:23])[CH:21]=[CH2:20].CC(=O)C=C

OrbPairId : 2422, Prediction : 0.000000

Neg data

OPReactantPairId: 2971, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C:22](CC)(C(C)C)[N+:23](C)(C)C.CCC(CC)(C(C)C)[N+](C)(C)C.[OH-:10].[OH-]

OrbPairId : 3104, Prediction : 0.000000

Neg data

OPReactantPairId: 2454, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC(C)CC(C)[O-:10].CCC(C)CC(C)[O-].[OH3+]

OrbPairId : 2530, Prediction : 0.000000

Neg data

OPReactantPairId: 2234, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](CC(=O)OCC)(O)[OH:10].CC[OH+]C(CC(=O)OCC)(O)O

OrbPairId : 2287, Prediction : 0.000000

Neg data

OPReactantPairId: 2456, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])CCC=O.CC(=O)CCC=O.C[O-:10].C[O-]

OrbPairId : 2532, Prediction : 0.000000

Neg data

OPReactantPairId: 2456, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])CCC=O.CC(=O)CCC=O.C[O-:10].C[O-]

OrbPairId : 3357, Prediction : 0.000000

Neg data

OPReactantPairId: 1637, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CCN(CC)[C:22](=[O:23])[CH:21]=[CH2:20].CCN(CC)C(=O)C=C

OrbPairId : 2582, Prediction : 0.000000

Neg data

OPReactantPairId: 1755, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C=C[C+:22]1N)Br)Br.C1=C[C+](C(C=C1Br)Br)N.[Br-:10].[Br-]

OrbPairId : 1769, Prediction : 0.000000

Neg data

OPReactantPairId: 3056, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC1CC=CC(C1[NH2:10])C.CC1CC=CC(C1N)C.[CH3:20][I:21].CI

OrbPairId : 3205, Prediction : 0.000000

Neg data

OPReactantPairId: 1737, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1(C([Br+:21]1)Br)Br.CC1(C([Br+]1)Br)Br.[Br-:10].[Br-]

OrbPairId : 1750, Prediction : 0.000000

Neg data

OPReactantPairId: 2788, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C)([O-:10])[O:21]C(=O)C=C.CCOC(C)([O-])OC(=O)C=C

OrbPairId : 3307, Prediction : 0.000000

Neg data

OPReactantPairId: 2788, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C)([O-:10])[O:21]C(=O)C=C.CCOC(C)([O-])OC(=O)C=C

OrbPairId : 2897, Prediction : 0.000000

Neg data

OPReactantPairId: 1637, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CCN(CC)[C:22](=[O:23])[CH:21]=[CH2:20].CCN(CC)C(=O)C=C

OrbPairId : 1638, Prediction : 0.000000

Neg data

OPReactantPairId: 2413, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)C(CC(=O)C)[O-].CC(=O)CC([NH2+]C)[O-].[OH2:10].O

OrbPairId : 2486, Prediction : 0.000000

Neg data

OPReactantPairId: 2145, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)(CC)C#N.CCC(C)C#N.[NH2-:10].[NH2-]

OrbPairId : 2186, Prediction : 0.000000

Neg data

OPReactantPairId: 1649, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C)([OH:10])[O:21]C(=O)CCC=O.CCOC(C)(O)OC(=O)CCC=O

OrbPairId : 1651, Prediction : 0.000000

Neg data

OPReactantPairId: 2444, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH:22]=[O:23].CC[O-:10].CC[O-].CC=O

OrbPairId : 3246, Prediction : 0.000000

Neg data

OPReactantPairId: 2329, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[N+](=O)[O-].CC[N+](=O)[O-].[NH2-:10].[NH2-]

OrbPairId : 2389, Prediction : 0.000000

Neg data

OPReactantPairId: 2637, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=[N+]1CCCC1)C[C:20](C=C)([O-:10])[O:21]C(=O)C.CC(=[N+]1CCCC1)CC(C=C)([O-])OC(=O)C

OrbPairId : 3489, Prediction : 0.000000

Neg data

OPReactantPairId: 1585, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:10][CH:20](C)[NH+:21](C)C.CCOC(C)[NH+](C)C

OrbPairId : 1585, Prediction : 0.000000

Neg data

OPReactantPairId: 2149, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)[C:22](=[O:23])CC1=CC=CC=C1.C1=CC=C(C=C1)CC(=O)CC#N.[NH2-:10].[NH2-]

OrbPairId : 2191, Prediction : 0.000000

Neg data

OPReactantPairId: 3370, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]CCO[C:11]1=[CH:10]C=CC=C1.C[CH+]CCOC1=CC=CC=C1

OrbPairId : 3958, Prediction : 0.000000

Neg data

OPReactantPairId: 1593, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:10][C:11](C)(C=O)[CH+:20]C.C[CH+]C(C)C=O

OrbPairId : 1593, Prediction : 0.000000

Neg data

OPReactantPairId: 1723, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC=C[CH:20]1C([Br+:21]1)C.CC=CC1C([Br+]1)C.[Br-:10].[Br-]

OrbPairId : 1735, Prediction : 0.000000

Neg data

OPReactantPairId: 1825, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC[CH:20]=[N+:21](C)C.CCC=[N+](C)C.CC[NH2:10].CCN

OrbPairId : 1844, Prediction : 0.000000
[H:20][CH:21](C)[CH:22]=[N+:23](C)C.CCC=[N+](C)C.CC[NH2:10].CCN

OrbPairId : 1850, Prediction : 0.000000

Neg data

OPReactantPairId: 1678, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21]([C+:22](C)C)O.CC(=C)C[OH:10].CC(=C)CO.C[C+](C)CO

OrbPairId : 1686, Prediction : 0.000000
CC(=C)C[OH:10].CC(=C)CO.C[C+:20](C)CO.C[C+](C)CO

OrbPairId : 1687, Prediction : 0.000000

Neg data

OPReactantPairId: 2339, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH3:20][Br:21].CBr.[CH2-:10]C1=CC=NC=C1.[CH2-]C1=CC=NC=C1

OrbPairId : 2403, Prediction : 0.000000

Neg data

OPReactantPairId: 1658, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C=C)([OH:10])[O:21]C(=O)C.CCNC(C=C)(O)OC(=O)C

OrbPairId : 1663, Prediction : 0.000000

Neg data

OPReactantPairId: 2405, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=O)C[C:20](=[O:21])Cl.C1=CC=C(C=C1)CC(=O)CC(=O)Cl

OrbPairId : 2477, Prediction : 0.000000

Neg data

OPReactantPairId: 2157, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[O+:21]=[C:20](C)C.CC[O+]=C(C)C.[OH2:10].O

OrbPairId : 3853, Prediction : 0.000000

Neg data

OPReactantPairId: 2157, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O+:21]=[C:20](C)C.CC[O+]=C(C)C.[OH2:10].O

OrbPairId : 2200, Prediction : 0.000000

Neg data

OPReactantPairId: 2148, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)C[C:11](=[CH:10][C:20](=O)[Cl:21])[O-:12].C1=CC=C(C=C1)CC(=CC(=O)Cl)[O-]

OrbPairId : 2190, Prediction : 0.000000

Neg data

OPReactantPairId: 1827, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]([NH:10]CC)[NH+:21](C)C.CCC(NCC)[NH+](C)C

OrbPairId : 1846, Prediction : 0.000000

Neg data

OPReactantPairId: 2786, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[C:20](=[O:21])OC(=O)C=C.CC(=O)OC(=O)C=C

OrbPairId : 2894, Prediction : 0.000000
CC[OH:10].CCO.CC(=O)O[C:20](=[O:21])C=C.CC(=O)OC(=O)C=C

OrbPairId : 2895, Prediction : 0.000000

Neg data

OPReactantPairId: 1656, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C)([OH:10])[O:21]C(=O)C=C.CCNC(C)(O)OC(=O)C=C

OrbPairId : 1661, Prediction : 0.000000

Neg data

OPReactantPairId: 2786, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[C:20](=[O:21])OC(=O)C=C.CC(=O)OC(=O)C=C

OrbPairId : 3301, Prediction : 0.000000
CC[OH:10].CCO.CC(=O)O[C:20](=[O:21])C=C.CC(=O)OC(=O)C=C

OrbPairId : 3304, Prediction : 0.000000

Neg data

OPReactantPairId: 2458, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1CC(=O)CC1[O-:10].C1CC(=O)CC1[O-].[OH3+]

OrbPairId : 2534, Prediction : 0.000000

Neg data

OPReactantPairId: 1735, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:13]1=[C:12]([CH:11]=[CH:10]C=C1)Br.CCOC1=C(C=CC=C1)Br.[Br:20][Br:21].BrBr

OrbPairId : 1748, Prediction : 0.000000

Neg data

OPReactantPairId: 1735, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:13]1=[C:12]([CH:11]=[CH:10]C=C1)Br.CCOC1=C(C=CC=C1)Br.[Br:20][Br:21].BrBr

OrbPairId : 3624, Prediction : 0.000000

Neg data

OPReactantPairId: 1654, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.[CH2:20]=[CH:21][C:22](=[OH+:23])O.C=CC(=[OH+])O

OrbPairId : 1658, Prediction : 0.000000

Neg data

OPReactantPairId: 2159, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[O:10]C(C)(C)O.CCOC(C)(C)O.[OH3+]

OrbPairId : 2202, Prediction : 0.000000

Neg data

OPReactantPairId: 1738, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC1CC[C:20]2(C1[Br+:21]2)C.CCC1CCC2(C1[Br+]2)C.[Br-:10].[Br-]

OrbPairId : 1751, Prediction : 0.000000

Neg data

OPReactantPairId: 2159, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[O:10]C(C)(C)O.CCOC(C)(C)O.[OH3+]

OrbPairId : 3855, Prediction : 0.000000

Neg data

OPReactantPairId: 1688, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH+:21](CC)[CH:20](C)[N:10](C)C.CC[NH+](CC)C(C)N(C)C

OrbPairId : 1698, Prediction : 0.000000

Neg data

OPReactantPairId: 1889, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=C(C=C2)C#N)Br.C1=CC2=C(C=C(C=C2)C#N)C([CH+]1)Br.[Br-:10].[Br-]

OrbPairId : 1915, Prediction : 0.000000

Neg data

OPReactantPairId: 1684, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]CC[C:11]1=[CH:10]C=CC=C1.C[CH+]CCC1=CC=CC=C1

OrbPairId : 1694, Prediction : 0.000000

Neg data

OPReactantPairId: 1684, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]CC[C:11]1=[CH:10]C=CC=C1.C[CH+]CCC1=CC=CC=C1

OrbPairId : 3983, Prediction : 0.000000

Neg data

OPReactantPairId: 3135, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH2:21][C:22](=[O:23])N(C)C.CC(=O)N(C)C

OrbPairId : 3501, Prediction : 0.000000

Neg data

OPReactantPairId: 3794, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](CC)(CC)C(C)(C)O.CC[NH:10]CC.CCNCC.CC[NH+](CC)C(C)(C)O

OrbPairId : 4435, Prediction : 0.000000

Neg data

OPReactantPairId: 2054, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CC)C=CC.CCC(C=CC)[OH2+].[OH2:10].O

OrbPairId : 2088, Prediction : 0.000000

Neg data

OPReactantPairId: 1686, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[N:10](CC)[CH:20](C)[NH+:21](C)C.CCN(CC)C(C)[NH+](C)C

OrbPairId : 1696, Prediction : 0.000000

Neg data

OPReactantPairId: 1839, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CCO[C:20](=[O:21])C.CCOC(=O)C

OrbPairId : 2651, Prediction : 0.000000

Neg data

OPReactantPairId: 1808, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C

OrbPairId : 1826, Prediction : 0.000000

Neg data

OPReactantPairId: 3796, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C.CC[NH2+]C(C)(C)[O-:10].CC[NH2+]C(C)(C)[O-].CO

OrbPairId : 4437, Prediction : 0.000000

Neg data

OPReactantPairId: 1899, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(C)C(O)[O:10]C.CC(C)C(O)OC.[OH3+]

OrbPairId : 1925, Prediction : 0.000000

Neg data

OPReactantPairId: 2056, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)C=CCC.CCC=CC(C)[OH2+].[OH2:10].O

OrbPairId : 2091, Prediction : 0.000000

Neg data

OPReactantPairId: 1680, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](CO)[C+:22](C)C.CC(=C)CC[OH:10].CC(=C)CCO.C[C+](C)CCO

OrbPairId : 1689, Prediction : 0.000000
CC(=C)CC[OH:10].CC(=C)CCO.C[C+:20](C)CCO.C[C+](C)CCO

OrbPairId : 1690, Prediction : 0.000000

Neg data

OPReactantPairId: 3768, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH:22]=[CH:23][C:24](=[O:25])C.CC=CC(=O)C.[OH-:10].[OH-]

OrbPairId : 4406, Prediction : 0.000000

Neg data

OPReactantPairId: 3738, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C(C[CH2:20][Br:21])CBr.C(CCBr)CBr.[OH-:10].[OH-]

OrbPairId : 4371, Prediction : 0.000000

Neg data

OPReactantPairId: 2734, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].[CH2:20]=[CH:21][C:22]#[N:23].C=CC#N

OrbPairId : 2837, Prediction : 0.000000

Neg data

OPReactantPairId: 3699, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC=C[CH2:20][Cl:21].CC=CCCl.[OH-:10].[OH-]

OrbPairId : 4329, Prediction : 0.000000

Neg data

OPReactantPairId: 1662, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10]CC.CCNCC.C[CH:20]=[NH+:21]C.CC=[NH+]C

OrbPairId : 1667, Prediction : 0.000000

Neg data

OPReactantPairId: 2656, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])C1=CC(=CC=C1)Br.CC(=O)C1=CC(=CC=C1)Br.[CH2:10]=[C:11](C1=CC(=CC=C1)Br)[O-:12].C=C(C1=CC(=CC=C1)Br)[O-]

OrbPairId : 2753, Prediction : 0.000000

Neg data

OPReactantPairId: 3316, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.CO[C:13]1=[CH:12][CH:11]=[CH:10]C(=C1)[N+](=O)[O-].COC1=CC=CC(=C1)[N+](=O)[O-]

OrbPairId : 3871, Prediction : 0.000000
C[CH+:20]C.C[CH+]C.CO[C:11]1=[CH:10]C=CC(=C1)[N+](=O)[O-].COC1=CC=CC(=C1)[N+](=O)[O-]

OrbPairId : 3872, Prediction : 0.000000

Neg data

OPReactantPairId: 2070, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1CCO[C:20](=[OH+:21])C1.C1CCOC(=[OH+])C1.[OH2:10].O

OrbPairId : 3844, Prediction : 0.000000

Neg data

OPReactantPairId: 2070, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1CCO[C:20](=[OH+:21])C1.C1CCOC(=[OH+])C1.[OH2:10].O

OrbPairId : 2107, Prediction : 0.000000

Neg data

OPReactantPairId: 3766, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])N(C)C.CN(C)C(=O)CC(=O)CC1=CC=CC=C1.[OH-:10].[OH-]

OrbPairId : 4403, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)N(C)C.CN(C)C(=O)CC(=O)CC1=CC=CC=C1.[OH-:10].[OH-]

OrbPairId : 4404, Prediction : 0.000000

Neg data

OPReactantPairId: 3760, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC=C[CH2:20][I:21].CC=CCI.[OH-:10].[OH-]

OrbPairId : 4395, Prediction : 0.000000

Neg data

OPReactantPairId: 3310, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.CO[C:13]1=[C:12]2C=CC=C[C:11]2=[CH:10]C=C1.COC1=C2C=CC=CC2=CC=C1

OrbPairId : 3858, Prediction : 0.000000

Neg data

OPReactantPairId: 3131, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21][C:1](=[CH:3]C(=O)C)CC1=CC=CC=C1.CC(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 3497, Prediction : 0.000000

Neg data

OPReactantPairId: 1607, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]=[O+:21]CC=C.CCC=[O+]CC=C.CC[OH:10].CCO

OrbPairId : 1606, Prediction : 0.000000

Neg data

OPReactantPairId: 3312, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:10][CH:11](C)[CH2+:20].CC[CH2+]

OrbPairId : 3861, Prediction : 0.000000

Neg data

OPReactantPairId: 2248, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)C[CH:20]([NH+:21]1CCCCC1)[OH:10].CC(=O)CC([NH+]1CCCCC1)O

OrbPairId : 2300, Prediction : 0.000000

Neg data

OPReactantPairId: 3133, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
CC1[CH:20]([O:21]1)CCCC[O-:10].CC1C(O1)CCCC[O-]

OrbPairId : 3499, Prediction : 0.000000

Neg data

OPReactantPairId: 3792, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C.CO.C=CC[O-:10].C=CC[O-]

OrbPairId : 4433, Prediction : 0.000000

Neg data

OPReactantPairId: 3712, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(=O)CC[O-:10].CC(=O)CC[O-].O

OrbPairId : 4344, Prediction : 0.000000

Neg data

OPReactantPairId: 1508, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC(C)[C+:20](C)CC.CCC(C)[C+](C)CC.[Br-:10].[Br-]

OrbPairId : 1502, Prediction : 0.000000

Neg data

OPReactantPairId: 3256, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CCC(=O)N[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CCC(=O)NC1=CC=CC=C1.C[CH+:20]C.C[CH+]C

OrbPairId : 3695, Prediction : 0.000000
CCC(=O)N[C:11]1=[CH:10]C=CC=C1.CCC(=O)NC1=CC=CC=C1.C[CH+:20]C.C[CH+]C

OrbPairId : 3696, Prediction : 0.000000

Neg data

OPReactantPairId: 1944, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20]1(C([OH+:21]1)C)C.CCC1(C([OH+]1)C)C.[OH2:10].O

OrbPairId : 1971, Prediction : 0.000000

Neg data

OPReactantPairId: 1517, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:10](=[CH:11]CC[C+:20](C)C)C.CC(=CCC[C+](C)C)C

OrbPairId : 1512, Prediction : 0.000000

Neg data

OPReactantPairId: 3714, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](CO)[C:22](=[O:23])C.CC(=O)CCO.[OH-:10].[OH-]

OrbPairId : 4346, Prediction : 0.000000

Neg data

OPReactantPairId: 2030, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC([NH:10]C)O.CC(NC)O.[OH3+]

OrbPairId : 2063, Prediction : 0.000000

Neg data

OPReactantPairId: 2123, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1=[C:22](C(=CC=C1)C)[I:23].CC1=CC=CC=C1I.[NH2-:10].[NH2-]

OrbPairId : 2161, Prediction : 0.000000

Neg data

OPReactantPairId: 2510, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)C[C:20](C=C)([O-:10])[O:21]C(=O)C.CC(=O)CC(C=C)([O-])OC(=O)C

OrbPairId : 3353, Prediction : 0.000000

Neg data

OPReactantPairId: 2510, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)C[C:20](C=C)([O-:10])[O:21]C(=O)C.CC(=O)CC(C=C)([O-])OC(=O)C

OrbPairId : 2596, Prediction : 0.000000

Neg data

OPReactantPairId: 2074, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1CCC2=[N:10]CCCC2C1.C1CCC2=NCCCC2C1.[OH3+]

OrbPairId : 3744, Prediction : 0.000000

Neg data

OPReactantPairId: 2074, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1CCC2=[N:10]CCCC2C1.C1CCC2=NCCCC2C1.[OH3+]

OrbPairId : 2111, Prediction : 0.000000

Neg data

OPReactantPairId: 3000, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].C=CCC[O-:10].C=CCC[O-].O

OrbPairId : 3134, Prediction : 0.000000

Neg data

OPReactantPairId: 2512, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[C-:10]#N.[C-]#N.C1=C[C:20](=[CH:21][CH:22]=[C:23]1[N+](=O)[O-])I.C1=CC(=CC=C1[N+](=O)[O-])I

OrbPairId : 2599, Prediction : 0.000000

Neg data

OPReactantPairId: 2072, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1CC[O:10]C(C1)(O)O.C1CCOC(C1)(O)O.[OH3+]

OrbPairId : 2109, Prediction : 0.000000

Neg data

OPReactantPairId: 3764, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)CC(=C[C:20](O)([O-:10])[O:21]C(=O)C2=CC=CC=C2)O.C1=CC=C(C=C1)CC(=CC(O)([O-])OC(=O)C2=CC=CC=C2)O

OrbPairId : 4401, Prediction : 0.000000

Neg data

OPReactantPairId: 2072, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1CC[O:10]C(C1)(O)O.C1CCOC(C1)(O)O.[OH3+]

OrbPairId : 3846, Prediction : 0.000000

Neg data

OPReactantPairId: 1506, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CO[CH+:20]CC1=CC=CC=C1.CO[CH+]CC1=CC=CC=C1.[Br-:10].[Br-]

OrbPairId : 1499, Prediction : 0.000000

Neg data

OPReactantPairId: 1972, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[CH:10]=[CH:11]C1=CC=CC=C1.CC=CC1=CC=CC=C1.[OH3+]

OrbPairId : 2001, Prediction : 0.000000

Neg data

OPReactantPairId: 3683, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)C=C.C=CC(=O)O.[OH-:10].[OH-]

OrbPairId : 4313, Prediction : 0.000000

Neg data

OPReactantPairId: 3220, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](C)([O-:10])ON=CC(CO)O.CC(=O)OC(C)([O-])ON=CC(CO)O

OrbPairId : 3606, Prediction : 0.000000

Neg data

OPReactantPairId: 2470, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[CH+:22]O.CC[CH+]O.[OH2:10].O

OrbPairId : 2548, Prediction : 0.000000
CC[CH+:20]O.CC[CH+]O.[OH2:10].O

OrbPairId : 2549, Prediction : 0.000000

Neg data

OPReactantPairId: 3086, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[CH:22]=[N+:23]1CCCCC1.CCC=[N+]1CCCCC1.C=C[N:10]1CCCCC1.C=CN1CCCCC1

OrbPairId : 3338, Prediction : 0.000000

Neg data

OPReactantPairId: 3702, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(C=O)C(C)[O-:10].CC(C=O)C(C)[O-].O

OrbPairId : 4333, Prediction : 0.000000

Neg data

OPReactantPairId: 1887, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
[CH:11]1=[CH:10]C2=CC=C(C=C2C=C1)C#N.C1=CC2=CC=C(C=C2C=C1)C#N.[Br:20][Br:21].BrBr

OrbPairId : 3639, Prediction : 0.000000
C1=CC2=CC=C(C=C2[CH:10]=[CH:11]1)C#N.C1=CC2=CC=C(C=C2C=C1)C#N.[Br:20][Br:21].BrBr

OrbPairId : 3640, Prediction : 0.000000

Neg data

OPReactantPairId: 3681, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](O)([O-:10])[Cl:21].CC(O)([O-])Cl

OrbPairId : 4311, Prediction : 0.000000

Neg data

OPReactantPairId: 1948, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O+:21]CCO)C.CC(=[O+]CCO)C.[OH2:10].O

OrbPairId : 3733, Prediction : 0.000000

Neg data

OPReactantPairId: 2135, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)C#N.CCC#N.[NH2-:10].[NH2-]

OrbPairId : 2174, Prediction : 0.000000

Neg data

OPReactantPairId: 1948, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O+:21]CCO)C.CC(=[O+]CCO)C.[OH2:10].O

OrbPairId : 1975, Prediction : 0.000000

Neg data

OPReactantPairId: 3700, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](CCCCBr)(C(=O)OCC)[C:22](=[O:23])OCC.CCOC(=O)C(CCCCBr)C(=O)OCC.[OH-:10].[OH-]

OrbPairId : 4331, Prediction : 0.000000

Neg data

OPReactantPairId: 3710, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=C(C=C(C(=C1)[N+](=O)[O-])F)CC[CH2:20][Br:21].C1=C(C=C(C(=C1)[N+](=O)[O-])F)CCCBr.[OH-:10].[OH-]

OrbPairId : 4342, Prediction : 0.000000

Neg data

OPReactantPairId: 2499, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)CC=C(N(CC)CC)[O-].CC[NH2+]CC=C(N(CC)CC)[O-].[OH2:10].O

OrbPairId : 2583, Prediction : 0.000000

Neg data

OPReactantPairId: 1946, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC1(OCC[O:10]1)C.CC1(OCCO1)C.[OH3+]

OrbPairId : 1973, Prediction : 0.000000

Neg data

OPReactantPairId: 3254, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[CH:10]=[C:11](C=C1)CC[C+:20]=O.C1=CC=C(C=C1)CC[C+]=O

OrbPairId : 3691, Prediction : 0.000000

Neg data

OPReactantPairId: 1515, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CC(=CC[CH:10]=[C:11](C)C)C.CC(=CCC=C(C)C)C.Br

OrbPairId : 1510, Prediction : 0.000000

Neg data

OPReactantPairId: 2398, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20]1(C=CC=C[C-:10]1[N+](=O)[O-])[F:21].CCOC1(C=CC=C[C-]1[N+](=O)[O-])F

OrbPairId : 2470, Prediction : 0.000000

Neg data

OPReactantPairId: 3070, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[N+:23]1CCCC1)CC(=O)C=C.CC(=C)[N:10]1CCCC1.CC(=C)N1CCCC1.CC(=[N+]1CCCC1)CC(=O)C=C

OrbPairId : 3263, Prediction : 0.000000

Neg data

OPReactantPairId: 3667, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)C=C(CC1=CC=CC=C1)O.C1=CC=C(C=C1)CC(=CC(=O)O)O.[OH-:10].[OH-]

OrbPairId : 4290, Prediction : 0.000000

Neg data

OPReactantPairId: 1893, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[O:10]C(C)(O)O.CCOC(C)(O)O.[OH3+]

OrbPairId : 3772, Prediction : 0.000000

Neg data

OPReactantPairId: 3730, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C.[OH-:10].[OH-]

OrbPairId : 4362, Prediction : 0.000000

Neg data

OPReactantPairId: 3387, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:22]=[CH:23][C+:24](C2=CC=CC=C21)Br)C(C)C.CC(C)C1C=C[C+](C2=CC=CC=C12)Br.[F-:10].[F-]

OrbPairId : 3978, Prediction : 0.000000

Neg data

OPReactantPairId: 3691, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(=O)CC(C1=CC=CC=C1)[O-:10].CC(=O)CC(C1=CC=CC=C1)[O-].O

OrbPairId : 4322, Prediction : 0.000000

Neg data

OPReactantPairId: 1519, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20](C)C1CCCCC1(C)C.C[C+](C)C1CCCCC1(C)C.[Br-:10].[Br-]

OrbPairId : 1513, Prediction : 0.000000

Neg data

OPReactantPairId: 3127, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][N:21](C)C(=O)C.CC(=O)NC

OrbPairId : 3493, Prediction : 0.000000

Neg data

OPReactantPairId: 2284, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCCC[CH:22]1[Br:23])Br.C1CCC(C(C1)Br)Br.[NH2-:10].[NH2-]

OrbPairId : 2343, Prediction : 0.000000

Neg data

OPReactantPairId: 1579, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20](CC=O)[OH2+:21].CC(CC=O)[OH2+]

OrbPairId : 1578, Prediction : 0.000000

Neg data

OPReactantPairId: 3669, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)CC(=O)C[C:20](=[O:21])OC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)CC(=O)CC(=O)OC(=O)C2=CC=CC=C2.[OH-:10].[OH-]

OrbPairId : 4292, Prediction : 0.000000
C1=CC=C(C=C1)CC(=O)CC(=O)O[C:20](=[O:21])C2=CC=CC=C2.C1=CC=C(C=C1)CC(=O)CC(=O)OC(=O)C2=CC=CC=C2.[OH-:10].[OH-]

OrbPairId : 4294, Prediction : 0.000000

Neg data

OPReactantPairId: 1616, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[OH:10].CO.C1=CC=C(C=C1)[C:20](=[OH+:21])O.C1=CC=C(C=C1)C(=[OH+])O

OrbPairId : 1616, Prediction : 0.000000

Neg data

OPReactantPairId: 3736, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C=C[C:20](=[O:21])Cl.C=CC(=O)Cl.[OH-:10].[OH-]

OrbPairId : 4369, Prediction : 0.000000

Neg data

OPReactantPairId: 3693, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(C)C(=O)C(C1=CC=CC=C1)C(CC2=CC=CC=C2)(C(C)C)[O-:10].CC(C)C(=O)C(C1=CC=CC=C1)C(CC2=CC=CC=C2)(C(C)C)[O-].O

OrbPairId : 4324, Prediction : 0.000000

Neg data

OPReactantPairId: 2489, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)CC[CH:20]=[O:21].CC(=O)CCC=O.[C-:10]#N.[C-]#N

OrbPairId : 2569, Prediction : 0.000000

Neg data

OPReactantPairId: 1577, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C#N)([OH:10])[Cl:21].CC(C#N)(O)Cl

OrbPairId : 1576, Prediction : 0.000000

Neg data

OPReactantPairId: 2286, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[C:10]#[C:11]C1=CC=CC=C1.CC#CC1=CC=CC=C1.[OH3+]

OrbPairId : 2346, Prediction : 0.000000

Neg data

OPReactantPairId: 3082, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C=C[CH:20](C1=CC=CC=C1)[Br:21].C=CC(C1=CC=CC=C1)Br

OrbPairId : 3328, Prediction : 0.000000

Neg data

OPReactantPairId: 3472, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[CH+:22]1)C(C)(C)CC.CCC(C)(C)C1C=CC=C[CH+]1.[F-:10].[F-]

OrbPairId : 4076, Prediction : 0.000000

Neg data

OPReactantPairId: 3734, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(=O)C1CCCC1(C)[O-:10].CC(=O)C1CCCC1(C)[O-].O

OrbPairId : 4367, Prediction : 0.000000

Neg data

OPReactantPairId: 3474, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.[CH:11]1=[CH:10]C2=CC=CC(=C2C=C1)C(F)(F)F.C1=CC2=CC=CC(=C2C=C1)C(F)(F)F

OrbPairId : 4078, Prediction : 0.000000

Neg data

OPReactantPairId: 2629, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr.[CH-:10](C#N)C#N.[CH-](C#N)C#N

OrbPairId : 3291, Prediction : 0.000000

Neg data

OPReactantPairId: 1575, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]=[O+:21]CC.CCC=[O+]CC.CC[OH:10].CCO

OrbPairId : 1572, Prediction : 0.000000

Neg data

OPReactantPairId: 2359, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20]1(CCCCO1)[O-:10].CC(=O)OC1(CCCCO1)[O-]

OrbPairId : 2427, Prediction : 0.000000

Neg data

OPReactantPairId: 3609, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CCOC(=O)CC(C1=CC=CC=C1)[O-:10].CCOC(=O)CC(C1=CC=CC=C1)[O-]

OrbPairId : 4228, Prediction : 0.000000

Neg data

OPReactantPairId: 3084, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.[CH2+:20]C=CC1=CC=CC=C1.[CH2+]C=CC1=CC=CC=C1

OrbPairId : 3330, Prediction : 0.000000

Neg data

OPReactantPairId: 3088, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:10][C:11](C)(C)[CH+:20]CC=C(C)C.CC(C)[CH+]CC=C(C)C

OrbPairId : 3343, Prediction : 0.000000

Neg data

OPReactantPairId: 2570, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][O:10][C:20](CCC(=O)C)(C1=CC=CC=C1)[Cl:21].[Li]OC(CCC(=O)C)(C1=CC=CC=C1)Cl

OrbPairId : 2661, Prediction : 0.000000

Neg data

OPReactantPairId: 3004, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21]1CCCC1([O-])OC(=NC2CCCCC2)NC3CCCCC3.C1CCC(CC1)NC(=O)[N-:10]C2CCCCC2.C1CCC(CC1)NC(=O)[N-]C2CCCCC2.C1CCC(CC1)NC(=NC2CCCCC2)OC3(CCC[NH2+]3)[O-]

OrbPairId : 3138, Prediction : 0.000000

Neg data

OPReactantPairId: 3605, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH:21]C(=O)C=C.C=CC(=O)N.C=CC(=O)NC[CH:10]=[C:11](N)[O-:12].C=CC(=O)NCC=C(N)[O-]

OrbPairId : 4224, Prediction : 0.000000

Neg data

OPReactantPairId: 3603, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH:21]C(=O)C=C.CC[O-:10].CC[O-].C=CC(=O)N

OrbPairId : 4222, Prediction : 0.000000

Neg data

OPReactantPairId: 1505, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[C+:20](C)C.CC(C)[C+](C)C.[Br-:10].[Br-]

OrbPairId : 1498, Prediction : 0.000000

Neg data

OPReactantPairId: 3278, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.[CH:11]1=[CH:10]C2=CC=CC(=C2C=C1)C#N.C1=CC2=CC=CC(=C2C=C1)C#N

OrbPairId : 3773, Prediction : 0.000000

Neg data

OPReactantPairId: 2294, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:22](=[O:23])[CH:21]=[CH2:20].CCNC(=O)C=C.C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1

OrbPairId : 2354, Prediction : 0.000000

Neg data

OPReactantPairId: 2294, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:22](=[O:23])[CH:21]=[CH2:20].CCNC(=O)C=C.C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1

OrbPairId : 3477, Prediction : 0.000000

Neg data

OPReactantPairId: 3395, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.C[C:11]1=[CH:10]C2=C(C=CC=C2)C=C1.CC1=CC2=C(C=CC=C2)C=C1

OrbPairId : 3987, Prediction : 0.000000

Neg data

OPReactantPairId: 3129, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]C1CO1.C1C(O1)O

OrbPairId : 3495, Prediction : 0.000000

Neg data

OPReactantPairId: 2224, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CC1=CC=CC=C1)OC.COC(CC1=CC=CC=C1)[OH2+].[OH2:10].O

OrbPairId : 2275, Prediction : 0.000000

Neg data

OPReactantPairId: 1503, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].C[CH:10]=[CH:11]C1=CC=CC=C1.CC=CC1=CC=CC=C1.Br

OrbPairId : 1500, Prediction : 0.000000

Neg data

OPReactantPairId: 2022, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](=[NH2+:21])O.CCC(=[NH2+])O.[OH2:10].O

OrbPairId : 3889, Prediction : 0.000000

Neg data

OPReactantPairId: 3619, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH:22]=[O:23].CC=O.[OH-:10].[OH-]

OrbPairId : 4238, Prediction : 0.000000

Neg data

OPReactantPairId: 3074, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[CH+:22]C.CC[CH+]C.CC(C)(C)[OH:10].CC(C)(C)O

OrbPairId : 3268, Prediction : 0.000000
CC[CH+:20]C.CC[CH+]C.CC(C)(C)[OH:10].CC(C)(C)O

OrbPairId : 3269, Prediction : 0.000000

Neg data

OPReactantPairId: 2292, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21](CC)C(C)([O-])Cl.CC[OH+]C(C)([O-])Cl.[OH2:10].O

OrbPairId : 2351, Prediction : 0.000000

Neg data

OPReactantPairId: 2958, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCC(CC)(C(C)C)[NH2:10].CCC(CC)(C(C)C)N.[CH3:20][I:21].CI

OrbPairId : 3091, Prediction : 0.000000

Neg data

OPReactantPairId: 3391, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][F:21].[CH2:10]=[CH:11]CCC1=CC=CC=C1.C=CCCC1=CC=CC=C1.F

OrbPairId : 3982, Prediction : 0.000000

Neg data

OPReactantPairId: 1565, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1CCCC[C:22]1=[N+:23]2CCCCC2.C1CCC(=[N+]2CCCCC2)CC1.C1CC[NH:10]CC1.C1CCNCC1

OrbPairId : 1561, Prediction : 0.000000

Neg data

OPReactantPairId: 3697, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH:21]C(=O)CCNC(=O)C=C.C=CC(=O)NCCC(=O)N.[OH-:10].[OH-]

OrbPairId : 4328, Prediction : 0.000000

Neg data

OPReactantPairId: 2290, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)C[C:20](C=C)([O-:10])[Cl:21].CC(=O)CC(C=C)([O-])Cl

OrbPairId : 2348, Prediction : 0.000000

Neg data

OPReactantPairId: 2290, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)C[C:20](C=C)([O-:10])[Cl:21].CC(=O)CC(C=C)([O-])Cl

OrbPairId : 3442, Prediction : 0.000000

Neg data

OPReactantPairId: 3076, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[N+:23]1CCCC1)CCC=C=[N-].CC(=C)[N:10]1CCCC1.CC(=C)N1CCCC1.CC(=[N+]1CCCC1)CCC=C=[N-]

OrbPairId : 3299, Prediction : 0.000000

Neg data

OPReactantPairId: 3617, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[N:23]=[CH:22][CH:21]=[C:20]1Cl.C1=CN=CC=C1Cl.[OH-:10].[OH-]

OrbPairId : 4236, Prediction : 0.000000

Neg data

OPReactantPairId: 2833, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C-:10](C#N)Br.C[C-](C#N)Br.[Br:20][Br:21].BrBr

OrbPairId : 2942, Prediction : 0.000000

Neg data

OPReactantPairId: 3515, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC(CC=O)[O-:10].CC(CC=O)[O-]

OrbPairId : 4121, Prediction : 0.000000

Neg data

OPReactantPairId: 2732, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](CCC=C=[N-])([NH+:21]1CCCC1)[OH:10].CC(CCC=C=[N-])([NH+]1CCCC1)O

OrbPairId : 2835, Prediction : 0.000000

Neg data

OPReactantPairId: 2734, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].[CH2:20]=[CH:21][C:22]#[N:23].C=CC#N

OrbPairId : 3378, Prediction : 0.000000

Neg data

OPReactantPairId: 3383, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)Br)C(C)C.CC(C)C1C=C[C+](C=C1)Br.[F-:10].[F-]

OrbPairId : 3974, Prediction : 0.000000

Neg data

OPReactantPairId: 3611, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C:22](=[O:23])C.CCC(=O)C.[OH-:10].[OH-]

OrbPairId : 4230, Prediction : 0.000000

Neg data

OPReactantPairId: 2831, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)(C#N)Br.CC(C#N)Br.[OH-:10].[OH-]

OrbPairId : 2941, Prediction : 0.000000

Neg data

OPReactantPairId: 1958, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C=C([C+:22]1NC(=O)CC)Br)Br)Br.CCC(=O)N[C+]1C(C=C(C=C1Br)Br)Br.[Br-:10].[Br-]

OrbPairId : 1986, Prediction : 0.000000

Neg data

OPReactantPairId: 3381, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]CCCO[C:11]1=[CH:10]C=CC=C1.C[CH+]CCCOC1=CC=CC=C1

OrbPairId : 3972, Prediction : 0.000000

Neg data

OPReactantPairId: 2253, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1C[CH2:10][C:11]2(C1)CCC[CH+:20]2.C1CCC2(C1)CCC[CH+]2

OrbPairId : 2306, Prediction : 0.000000

Neg data

OPReactantPairId: 2664, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)C(C)(CC(=O)OCC)[O-].CCOC(=O)CC(C)([NH2+]C)[O-].[OH2:10].O

OrbPairId : 2761, Prediction : 0.000000

Neg data

OPReactantPairId: 3002, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C1CCC(CC1)N=[C:20]=[N:21]C2CCCCC2.C1CCC(CC1)N=C=NC2CCCCC2.C(CC(=O)[OH:10])CN.C(CC(=O)O)CN

OrbPairId : 3136, Prediction : 0.000000

Neg data

OPReactantPairId: 3274, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].COC1=CC=C(C=C1)[CH2:20][Cl:21].COC1=CC=C(C=C1)CCl

OrbPairId : 3727, Prediction : 0.000000

Neg data

OPReactantPairId: 1922, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:22]=[CH:23][C+:24](C2=CC=CC=C21)OC)Br.CO[C+]1C=CC(C2=CC=CC=C21)Br.[Br-:10].[Br-]

OrbPairId : 1948, Prediction : 0.000000

Neg data

OPReactantPairId: 2251, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](CCC(=O)C)([C:21]#N)[O-:10].CCOC(CCC(=O)C)(C#N)[O-]

OrbPairId : 2304, Prediction : 0.000000

Neg data

OPReactantPairId: 2572, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.C[C:20](=[O:21])CCC(=O)C1=CC=CC=C1.CC(=O)CCC(=O)C1=CC=CC=C1

OrbPairId : 2662, Prediction : 0.000000
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.CC(=O)CC[C:20](=[O:21])C1=CC=CC=C1.CC(=O)CCC(=O)C1=CC=CC=C1

OrbPairId : 2664, Prediction : 0.000000

Neg data

OPReactantPairId: 3607, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH:21]C(=O)C=C.C=CC(=O)N.C=CC(=O)NCC[C:11](=[NH:10])[O-:12].C=CC(=O)NCCC(=N)[O-]

OrbPairId : 4226, Prediction : 0.000000

Neg data

OPReactantPairId: 3416, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1CC=C)C(C)CC2=CC=CC=C2.CC(CC1=CC=CC=C1)C2C=CC=C[C+]2CC=C.[F-:10].[F-]

OrbPairId : 4014, Prediction : 0.000000

Neg data

OPReactantPairId: 3505, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH:10][C:20](C)(C)[OH:21])[O-:12].CC(=CC(C)(C)O)[O-]

OrbPairId : 4111, Prediction : 0.000000

Neg data

OPReactantPairId: 2491, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])OCC.CC[O-:10].CC[O-].CCOC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3380, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)OCC.CC[O-:10].CC[O-].CCOC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3381, Prediction : 0.000000

Neg data

OPReactantPairId: 2491, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])OCC.CC[O-:10].CC[O-].CCOC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 2571, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)OCC.CC[O-:10].CC[O-].CCOC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 2572, Prediction : 0.000000

Neg data

OPReactantPairId: 2414, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)OCC)CC1=CC=CC=C1.CC[O-:10].CC[O-].CCOC(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 2488, Prediction : 0.000000

Neg data

OPReactantPairId: 1466, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC=C[CH+:20]C.CCC=C[CH+]C.[Br-:10].[Br-]

OrbPairId : 1458, Prediction : 0.000000

Neg data

OPReactantPairId: 2821, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH-:10][N+](=O)[O-].CC[CH-][N+](=O)[O-].[Br:20][Br:21].BrBr

OrbPairId : 2931, Prediction : 0.000000

Neg data

OPReactantPairId: 2493, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
C[C:20](=[O:21])OC(=O)CCC=O.CC(=O)OC(=O)CCC=O.[C-:10]#N.[C-]#N

OrbPairId : 2575, Prediction : 0.000000
CC(=O)O[C:20](=[O:21])CCC=O.CC(=O)OC(=O)CCC=O.[C-:10]#N.[C-]#N

OrbPairId : 2577, Prediction : 0.000000

Neg data

OPReactantPairId: 3519, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](=[O:21])OCC.CCC(=O)OCC.CCO[C:11](=[CH:10]C)[O-:12].CCOC(=CC)[O-]

OrbPairId : 4125, Prediction : 0.000000

Neg data

OPReactantPairId: 2540, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](CCC=C(N)[O-])([NH+:21]1CCCC1)[OH:10].CC(CCC=C(N)[O-])([NH+]1CCCC1)O

OrbPairId : 2627, Prediction : 0.000000

Neg data

OPReactantPairId: 1548, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC=[C+:20]C1=CC=CC=C1.CC=[C+]C1=CC=CC=C1.[Br-:10].[Br-]

OrbPairId : 1544, Prediction : 0.000000

Neg data

OPReactantPairId: 3615, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[C-]#CC[CH2:20][Br:21].[C-]#CCCBr.[OH-:10].[OH-]

OrbPairId : 4234, Prediction : 0.000000

Neg data

OPReactantPairId: 1613, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C(C(C(C(C([CH:20]=[OH+:21])O)O)O)[OH:10])O.C(C(C(C(C(C=[OH+])O)O)O)O)O

OrbPairId : 1613, Prediction : 0.000000

Neg data

OPReactantPairId: 3151, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
CC([CH:20](C)[Br:21])[O-:10].CC(C(C)Br)[O-]

OrbPairId : 3521, Prediction : 0.000000

Neg data

OPReactantPairId: 3517, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([CH:10]=[CH:11][O-:12])[OH:21].CC(C=C[O-])O

OrbPairId : 4123, Prediction : 0.000000

Neg data

OPReactantPairId: 1956, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C=C[C+:22]1NC(=O)CC)Br)Br.CCC(=O)N[C+]1C=CC(=CC1Br)Br.[Br-:10].[Br-]

OrbPairId : 1984, Prediction : 0.000000

Neg data

OPReactantPairId: 2059, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[O:10]C(C=C)(O)O.CCOC(C=C)(O)O.[OH3+]

OrbPairId : 2094, Prediction : 0.000000

Neg data

OPReactantPairId: 2241, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C=C[C:20](O)([OH:10])[Cl:21].C=CC(O)(O)Cl

OrbPairId : 2294, Prediction : 0.000000

Neg data

OPReactantPairId: 2730, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1=CN=CC=C1CC[O-:10].C1=CN=CC=C1CC[O-].[OH3+]

OrbPairId : 2833, Prediction : 0.000000

Neg data

OPReactantPairId: 1490, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20]1(C([OH+:21]1)C)C.CCC1(C([OH+]1)C)C.[Br-:10].[Br-]

OrbPairId : 1481, Prediction : 0.000000

Neg data

OPReactantPairId: 3333, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]12[CH:5]=[CH:6]C=C[C+:22]1CCCC2C.CC1CCC[C+]2C1C=CC=C2.[F-:10].[F-]

OrbPairId : 3918, Prediction : 0.000000

Neg data

OPReactantPairId: 1587, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CC[O+:21]=[CH:20]C.CC[O+]=CC

OrbPairId : 1587, Prediction : 0.000000

Neg data

OPReactantPairId: 2376, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)CC=C[O-].CC[NH2+]CC=C[O-].[OH2:10].O

OrbPairId : 2448, Prediction : 0.000000

Neg data

OPReactantPairId: 3675, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C#N)C(C)O.CC(CC#N)O.[OH-:10].[OH-]

OrbPairId : 4300, Prediction : 0.000000

Neg data

OPReactantPairId: 2487, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(=O)CC[CH:10]=[CH:11][O-:12].CC(=O)CCC=C[O-].[OH3+]

OrbPairId : 2567, Prediction : 0.000000

Neg data

OPReactantPairId: 3673, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)C)[C:22](=[O:23])C.CC(=O)CC(=O)C.[OH-:10].[OH-]

OrbPairId : 4298, Prediction : 0.000000

Neg data

OPReactantPairId: 1810, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C)([OH:10])[O:21]C(=O)C.CCNC(C)(O)OC(=O)C

OrbPairId : 1828, Prediction : 0.000000

Neg data

OPReactantPairId: 2565, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](C)([O-:10])[O:21]CC.CCNC(C)([O-])OCC

OrbPairId : 2657, Prediction : 0.000000

Neg data

OPReactantPairId: 1462, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C=[C+:20]C1=CC=CC=C1.C=[C+]C1=CC=CC=C1.[Br-:10].[Br-]

OrbPairId : 1454, Prediction : 0.000000

Neg data

OPReactantPairId: 3671, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)CC(=O)C[C:20](O)([O-:10])[O:21]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)CC(=O)CC(O)([O-])OC(=O)C2=CC=CC=C2

OrbPairId : 4296, Prediction : 0.000000

Neg data

OPReactantPairId: 1812, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21](C)(C)[C+:22](C)C.CC[OH:10].CCO.CC(C)[C+](C)C

OrbPairId : 1830, Prediction : 0.000000
CC[OH:10].CCO.CC(C)[C+:20](C)C.CC(C)[C+](C)C

OrbPairId : 1831, Prediction : 0.000000

Neg data

OPReactantPairId: 3143, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
CC(CC[CH:20](C)[Br:21])[O-:10].CC(CCC(C)Br)[O-]

OrbPairId : 3512, Prediction : 0.000000

Neg data

OPReactantPairId: 2568, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.CC(=O)CC[C:20](=[O:21])Cl.CC(=O)CCC(=O)Cl

OrbPairId : 2659, Prediction : 0.000000

Neg data

OPReactantPairId: 3410, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][F:21].[CH2:10]=[CH:11]CC1=CC=CC=C1.C=CCC1=CC=CC=C1.F

OrbPairId : 4005, Prediction : 0.000000

Neg data

OPReactantPairId: 1468, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].C[C:11]#[CH:10].CC#C.Br

OrbPairId : 1461, Prediction : 0.000000

Neg data

OPReactantPairId: 2659, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(CC(=O)C1=CC(=CC=C1)Br)(C2=CC(=CC=C2)Br)[O-:10].CC(CC(=O)C1=CC(=CC=C1)Br)(C2=CC(=CC=C2)Br)[O-].[OH3+]

OrbPairId : 2756, Prediction : 0.000000

Neg data

OPReactantPairId: 2237, ReactionConditionsId: 5

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(=O)[O-:10].CC(=O)[O-].[OH3+]

OrbPairId : 4430, Prediction : 0.000000

Neg data

OPReactantPairId: 3321, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C)([NH:10]O)[OH2+:21].CC(C)(NO)[OH2+]

OrbPairId : 3905, Prediction : 0.000000

Neg data

OPReactantPairId: 2237, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(=O)[O-:10].CC(=O)[O-].[OH3+]

OrbPairId : 2290, Prediction : 0.000000

Neg data

OPReactantPairId: 2686, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])C(C)(C)CC[O-:10].CC(=O)C(C)(C)CC[O-]

OrbPairId : 2783, Prediction : 0.000000

Neg data

OPReactantPairId: 3399, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][F:21].[CH2:10]=[CH:11]CCCCC1=CC=CC=C1.C=CCCCCC1=CC=CC=C1.F

OrbPairId : 3991, Prediction : 0.000000

Neg data

OPReactantPairId: 2686, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])C(C)(C)CC[O-:10].CC(=O)C(C)(C)CC[O-]

OrbPairId : 3399, Prediction : 0.000000

Neg data

OPReactantPairId: 3242, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CC1=CC=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3672, Prediction : 0.000000
C[C:11]1=[CH:10]C=CC=C1.CC1=CC=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3673, Prediction : 0.000000

Neg data

OPReactantPairId: 2657, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].CC=C[CH2:20][I:21].CC=CCI

OrbPairId : 2754, Prediction : 0.000000

Neg data

OPReactantPairId: 3078, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C=NC)[C+:22](C)C(C)C.CC(C)[C+](C)CC=NC.CC(C)(C)[OH:10].CC(C)(C)O

OrbPairId : 3306, Prediction : 0.000000
CC(C)[C+:20](C)CC=NC.CC(C)[C+](C)CC=NC.CC(C)(C)[OH:10].CC(C)(C)O

OrbPairId : 3308, Prediction : 0.000000

Neg data

OPReactantPairId: 3240, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CO[C:13]1=[CH:12][CH:11]=[CH:10]C(=C1)[N+](=O)[O-].COC1=CC=CC(=C1)[N+](=O)[O-].[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3669, Prediction : 0.000000
CO[C:11]1=[CH:10]C=CC(=C1)[N+](=O)[O-].COC1=CC=CC(=C1)[N+](=O)[O-].[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3670, Prediction : 0.000000

Neg data

OPReactantPairId: 2954, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])CC.CCC(=O)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3087, Prediction : 0.000000

Neg data

OPReactantPairId: 2655, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C1=C[C:20](=[CH:21][CH:22]=[C:23]1[N+](=O)[O-])I.C1=CC(=CC=C1[N+](=O)[O-])I

OrbPairId : 2752, Prediction : 0.000000

Neg data

OPReactantPairId: 1589, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20](CC=O)[OH2+:21].CCC(CC=O)[OH2+]

OrbPairId : 1589, Prediction : 0.000000

Neg data

OPReactantPairId: 2956, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](C)(Br)[Br:23].CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CC(C)(Br)Br

OrbPairId : 3089, Prediction : 0.000000

Neg data

OPReactantPairId: 3337, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][F:21].[CH2:10]=[CH:11]OC1=CC=CC=C1.C=COC1=CC=CC=C1.F

OrbPairId : 3921, Prediction : 0.000000

Neg data

OPReactantPairId: 2481, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)C(C)C(=O)C.CC[NH2+]C(C)C(=O)C.[OH2:10].O

OrbPairId : 2560, Prediction : 0.000000

Neg data

OPReactantPairId: 2374, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCOC(=O)C[C:20](C)([O-:10])[O:21]CC.CCOC(=O)CC(C)([O-])OCC

OrbPairId : 3202, Prediction : 0.000000

Neg data

OPReactantPairId: 2374, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCOC(=O)C[C:20](C)([O-:10])[O:21]CC.CCOC(=O)CC(C)([O-])OCC

OrbPairId : 2444, Prediction : 0.000000

Neg data

OPReactantPairId: 3335, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=CC=C2[N+](=O)[O-])C(C)C.CC(C)C1[CH+]C=CC2=C1C=CC=C2[N+](=O)[O-].[F-:10].[F-]

OrbPairId : 3920, Prediction : 0.000000

Neg data

OPReactantPairId: 1496, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20][C:11](C)(C)[CH3:10].C[CH+]C(C)(C)C

OrbPairId : 1490, Prediction : 0.000000

Neg data

OPReactantPairId: 2976, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC1(CCCC1)CC[O-:10].CC1(CCCC1)CC[O-].O

OrbPairId : 3108, Prediction : 0.000000

Neg data

OPReactantPairId: 3052, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[N:10](C)C.CC(C)N(C)C.[CH3:20][I:21].CI

OrbPairId : 3191, Prediction : 0.000000

Neg data

OPReactantPairId: 2223, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[O+:21]=[CH:20]CC1=CC=CC=C1.C[O+]=CCC1=CC=CC=C1.[OH2:10].O

OrbPairId : 2273, Prediction : 0.000000

Neg data

OPReactantPairId: 2378, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])NCC.CCNC(=O)C.CC[O-:10].CC[O-]

OrbPairId : 3248, Prediction : 0.000000

Neg data

OPReactantPairId: 2471, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CC)O.CCC([OH2+])O.[OH2:10].O

OrbPairId : 2550, Prediction : 0.000000

Neg data

OPReactantPairId: 2358, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[C:20](=[O:21])CCCC[O-:10].CC(=O)OC(=O)CCCC[O-]

OrbPairId : 2426, Prediction : 0.000000

Neg data

OPReactantPairId: 2855, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])Cl.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CC(=O)Cl

OrbPairId : 2971, Prediction : 0.000000

Neg data

OPReactantPairId: 2358, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[C:20](=[O:21])CCCC[O-:10].CC(=O)OC(=O)CCCC[O-]

OrbPairId : 3534, Prediction : 0.000000

Neg data

OPReactantPairId: 2974, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[N:10](C)CC1=CC=CC=C1.CN(C)CC1=CC=CC=C1.[CH3:20][I:21].CI

OrbPairId : 3105, Prediction : 0.000000

Neg data

OPReactantPairId: 3325, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)CBr)C(C)C.CC(C)C1C=C[C+](C=C1)CBr.[F-:10].[F-]

OrbPairId : 3909, Prediction : 0.000000

Neg data

OPReactantPairId: 2857, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])C.CCOC(=O)C.C1C[CH:10]=[C:11](C1)[O-:12].C1CC=C(C1)[O-]

OrbPairId : 2974, Prediction : 0.000000

Neg data

OPReactantPairId: 2356, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])N(C)C.CC[O-:10].CC[O-].CN(C)C(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 2423, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)N(C)C.CC[O-:10].CC[O-].CN(C)C(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 2425, Prediction : 0.000000

Neg data

OPReactantPairId: 2645, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.C[C:11](=[NH:10])[O-:12].CC(=N)[O-]

OrbPairId : 3372, Prediction : 0.000000

Neg data

OPReactantPairId: 2645, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.C[C:11](=[NH:10])[O-:12].CC(=N)[O-]

OrbPairId : 2742, Prediction : 0.000000

Neg data

OPReactantPairId: 3327, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1CBr)C(C)C.CC(C)C1C=CC=C[C+]1CBr.[F-:10].[F-]

OrbPairId : 3911, Prediction : 0.000000

Neg data

OPReactantPairId: 3533, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:11](=[CH:10]C(=O)C)[O-:12].CCOC(=CC(=O)C)[O-].C1C[CH:20]=[CH:21][C:22](=[O:23])C1.C1CC=CC(=O)C1

OrbPairId : 4140, Prediction : 0.000000

Neg data

OPReactantPairId: 2354, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[CH2:20][Br:21].CC(=O)CBr.[C-:10]#N.[C-]#N

OrbPairId : 2421, Prediction : 0.000000

Neg data

OPReactantPairId: 2235, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](C=C)(C#N)[O-:10].CC(=O)OC(C=C)(C#N)[O-]

OrbPairId : 2288, Prediction : 0.000000

Neg data

OPReactantPairId: 3244, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)CC=CCO.C1=CC=C(C=C1)CC=CCO.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3675, Prediction : 0.000000
C1=C[CH:10]=[C:11](C=C1)CC=CCO.C1=CC=C(C=C1)CC=CCO.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3676, Prediction : 0.000000

Neg data

OPReactantPairId: 2684, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.[C-:10]#N.[C-]#N

OrbPairId : 2781, Prediction : 0.000000

Neg data

OPReactantPairId: 2388, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])NC.CC[O-:10].CC[O-].CC(=O)NC

OrbPairId : 3340, Prediction : 0.000000

Neg data

OPReactantPairId: 2388, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])NC.CC[O-:10].CC[O-].CC(=O)NC

OrbPairId : 2460, Prediction : 0.000000

Neg data

OPReactantPairId: 2463, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC1CCCCC1(N2CCCC2)[OH:10].CC1CCCCC1(N2CCCC2)O.[OH3+]

OrbPairId : 2540, Prediction : 0.000000

Neg data

OPReactantPairId: 1876, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1(CCC(=O)C1)[OH2+:21].CC1(CCC(=O)C1)[OH2+]

OrbPairId : 1899, Prediction : 0.000000

Neg data

OPReactantPairId: 2384, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](CC(=O)C=C)([NH+:21]1CCCC1)[OH:10].CC(CC(=O)C=C)([NH+]1CCCC1)O

OrbPairId : 2456, Prediction : 0.000000

Neg data

OPReactantPairId: 1896, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[C:10](=[CH:11][O:12]C)C.CC(=COC)C.[OH3+]

OrbPairId : 1922, Prediction : 0.000000

Neg data

OPReactantPairId: 3426, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:10][CH:11]([CH+:20]C)OC1=CC=CC=C1.C[CH+]COC1=CC=CC=C1

OrbPairId : 4028, Prediction : 0.000000

Neg data

OPReactantPairId: 2688, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C[CH:20](C1=CC=CC=C1)[Br:21].CC(C1=CC=CC=C1)Br

OrbPairId : 2785, Prediction : 0.000000
[H:20][CH2:21][CH:22](C1=CC=CC=C1)[Br:23].CC[O-:10].CC[O-].CC(C1=CC=CC=C1)Br

OrbPairId : 2787, Prediction : 0.000000

Neg data

OPReactantPairId: 2386, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1(OCCC(=O)[O:21]1)[O-:10].CC1(OCCC(=O)O1)[O-]

OrbPairId : 2458, Prediction : 0.000000

Neg data

OPReactantPairId: 2465, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)[C:20](=[OH+:21])C.CCN(CC)C(=[OH+])C.[OH2:10].O

OrbPairId : 2543, Prediction : 0.000000

Neg data

OPReactantPairId: 2386, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]1(OCCC(=O)[O:21]1)[O-:10].CC1(OCCC(=O)O1)[O-]

OrbPairId : 3547, Prediction : 0.000000

Neg data

OPReactantPairId: 2465, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)[C:20](=[OH+:21])C.CCN(CC)C(=[OH+])C.[OH2:10].O

OrbPairId : 3879, Prediction : 0.000000

Neg data

OPReactantPairId: 2942, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[N+](=O)[O-].CC[N+](=O)[O-].CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3074, Prediction : 0.000000

Neg data

OPReactantPairId: 2380, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH3:20][Br:21].CBr.[CH2:10]=[CH:11][N:12]1CCCCC1.C=CN1CCCCC1

OrbPairId : 3337, Prediction : 0.000000

Neg data

OPReactantPairId: 2380, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH3:20][Br:21].CBr.[CH2:10]=[CH:11][N:12]1CCCCC1.C=CN1CCCCC1

OrbPairId : 2452, Prediction : 0.000000

Neg data

OPReactantPairId: 2843, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1CC[O:21][C:20]1(C)[O-:10].CC1CCOC1(C)[O-]

OrbPairId : 3272, Prediction : 0.000000

Neg data

OPReactantPairId: 2843, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC1CC[O:21][C:20]1(C)[O-:10].CC1CCOC1(C)[O-]

OrbPairId : 2954, Prediction : 0.000000

Neg data

OPReactantPairId: 2978, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]1C[Br+:21]1.CC1C[Br+]1.[OH2:10].O

OrbPairId : 3110, Prediction : 0.000000

Neg data

OPReactantPairId: 3525, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC(C1CCCC1=O)[O-:10].CC(C1CCCC1=O)[O-]

OrbPairId : 4132, Prediction : 0.000000

Neg data

OPReactantPairId: 3389, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.CC(=O)C1=C2C=C[CH:11]=[CH:10]C2=CC=C1.CC(=O)C1=C2C=CC=CC2=CC=C1

OrbPairId : 3980, Prediction : 0.000000

Neg data

OPReactantPairId: 2362, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC#CC(C)[N-:10]C.CC#CC(C)[N-]C.[OH3+]

OrbPairId : 2430, Prediction : 0.000000

Neg data

OPReactantPairId: 1690, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C)([OH:10])[O:21]C(=O)C=C.CCOC(C)(O)OC(=O)C=C

OrbPairId : 1700, Prediction : 0.000000

Neg data

OPReactantPairId: 2678, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](NC)([O-:10])[Cl:21].CC(NC)([O-])Cl

OrbPairId : 3356, Prediction : 0.000000

Neg data

OPReactantPairId: 2473, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]([OH2+:21])[OH:10].CCC([OH2+])O

OrbPairId : 2552, Prediction : 0.000000

Neg data

OPReactantPairId: 2678, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](NC)([O-:10])[Cl:21].CC(NC)([O-])Cl

OrbPairId : 2775, Prediction : 0.000000

Neg data

OPReactantPairId: 1605, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]([OH2+:21])[O:10]CC=C.CCC([OH2+])OCC=C

OrbPairId : 1605, Prediction : 0.000000

Neg data

OPReactantPairId: 2674, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C([CH2:20][Br:21])[O-:10].C(CBr)[O-]

OrbPairId : 3289, Prediction : 0.000000

Neg data

OPReactantPairId: 2674, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C([CH2:20][Br:21])[O-:10].C(CBr)[O-]

OrbPairId : 2771, Prediction : 0.000000

Neg data

OPReactantPairId: 2867, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:10]=[C:11](O)[OH:12].C=C(O)O.[Br:20][Br:21].BrBr

OrbPairId : 2990, Prediction : 0.000000

Neg data

OPReactantPairId: 2674, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C([CH2:20][Br:21])[O-:10].C(CBr)[O-]

OrbPairId : 3472, Prediction : 0.000000

Neg data

OPReactantPairId: 1778, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC(=O)O[C:11]1=[CH:10]C=C(C=C1Br)Br.CCC(=O)OC1=CC=C(C=C1Br)Br.[Br:20][Br:21].BrBr

OrbPairId : 1796, Prediction : 0.000000

Neg data

OPReactantPairId: 1778, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCC(=O)O[C:11]1=[CH:10]C=C(C=C1Br)Br.CCC(=O)OC1=CC=C(C=C1Br)Br.[Br:20][Br:21].BrBr

OrbPairId : 3617, Prediction : 0.000000

Neg data

OPReactantPairId: 2560, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCN(CC)[C:11](=[CH:10]CCC(=O)C)[O-:12].CCN(CC)C(=CCCC(=O)C)[O-].[OH3+]

OrbPairId : 2650, Prediction : 0.000000

Neg data

OPReactantPairId: 2676, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C[C:20](=[O:21])Cl.CC(=O)Cl

OrbPairId : 2773, Prediction : 0.000000

Neg data

OPReactantPairId: 2676, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].C[C:20](=[O:21])Cl.CC(=O)Cl

OrbPairId : 3311, Prediction : 0.000000

Neg data

OPReactantPairId: 1683, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2+:21][C:20](C)(N)[OH:10].CC[NH2+]C(C)(N)O

OrbPairId : 1693, Prediction : 0.000000

Neg data

OPReactantPairId: 2562, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20]#[N:21].CCC#N.CC#[C-:10].CC#[C-]

OrbPairId : 2653, Prediction : 0.000000

Neg data

OPReactantPairId: 2781, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC#[C-:10].CC#[C-].CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C

OrbPairId : 2889, Prediction : 0.000000

Neg data

OPReactantPairId: 1702, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[C:20](=[OH+:21])OC(=O)C.CC(=[OH+])OC(=O)C

OrbPairId : 1712, Prediction : 0.000000

Neg data

OPReactantPairId: 2670, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](=C(C)CC(=O)OCC)C.CCOC(=O)CC(=[NH+]C)C.[OH2:10].O

OrbPairId : 2767, Prediction : 0.000000

Neg data

OPReactantPairId: 2783, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)N.C1=CC=C(C=C1)N.C1=CC=C(C=C1)[N+:21]#[N:20].C1=CC=C(C=C1)[N+]#N

OrbPairId : 2891, Prediction : 0.000000

Neg data

OPReactantPairId: 2461, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21]1(CCCC1)C2(CCCCC2C)[O-].CC1CCCCC1([NH+]2CCCC2)[O-].[OH2:10].O

OrbPairId : 2538, Prediction : 0.000000

Neg data

OPReactantPairId: 2785, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH3:20][Br:21].CBr.[C-:10]#N.[C-]#N

OrbPairId : 2893, Prediction : 0.000000

Neg data

OPReactantPairId: 3060, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC1CC=CC(C1[N:10](C)C)C.CC1CC=CC(C1N(C)C)C.[CH3:20][I:21].CI

OrbPairId : 3209, Prediction : 0.000000

Neg data

OPReactantPairId: 1818, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH+:20]C1=CC=CC=C1.CC[CH+]C1=CC=CC=C1.CC[OH:10].CCO

OrbPairId : 1837, Prediction : 0.000000

Neg data

OPReactantPairId: 2692, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])CC1=NC=CC=C1.CC(=O)CC1=NC=CC=C1.[CH2-:10]C1=NC=CC=C1.[CH2-]C1=NC=CC=C1

OrbPairId : 2790, Prediction : 0.000000

Neg data

OPReactantPairId: 1870, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2+:21][C:20](C)([OH:10])OCC.CC[NH2+]C(C)(O)OCC

OrbPairId : 1893, Prediction : 0.000000

Neg data

OPReactantPairId: 2596, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[Li:11][O:10]C(CCC(=O)C1=CC=CC=C1)C2=CC=CC=C2.[Li]OC(CCC(=O)C1=CC=CC=C1)C2=CC=CC=C2.[OH3+]

OrbPairId : 2690, Prediction : 0.000000

Neg data

OPReactantPairId: 3591, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC([CH2:20][Br:21])O.CC(CBr)O.[OH-:10].[OH-]

OrbPairId : 4207, Prediction : 0.000000
[H:20][C:21](C)([CH2:22][Br:23])O.CC(CBr)O.[OH-:10].[OH-]

OrbPairId : 4209, Prediction : 0.000000

Neg data

OPReactantPairId: 3180, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH2:21][C:22](=[N:23]C)C.CC(=NC)C

OrbPairId : 3559, Prediction : 0.000000

Neg data

OPReactantPairId: 2017, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)CBr.CC(CBr)[OH2+].[OH2:10].O

OrbPairId : 2050, Prediction : 0.000000

Neg data

OPReactantPairId: 1865, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20]1(C([Br+:21]1)C)C.CCC1(C([Br+]1)C)C.C[OH:10].CO

OrbPairId : 1888, Prediction : 0.000000

Neg data

OPReactantPairId: 1695, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH+:21]=[CH:20]C.CC[NH+]=CC.C[OH:10].CO

OrbPairId : 1705, Prediction : 0.000000

Neg data

OPReactantPairId: 2598, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(CC(=O)C)[O-:10].CC(CC(=O)C)[O-].[OH3+]

OrbPairId : 2692, Prediction : 0.000000

Neg data

OPReactantPairId: 3182, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH:21](C)[N+](=O)[O-].CC[N+](=O)[O-]

OrbPairId : 3562, Prediction : 0.000000

Neg data

OPReactantPairId: 1498, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].C[C:10](=[CH:11]C1=CC=CC=C1)C.CC(=CC1=CC=CC=C1)C.Br

OrbPairId : 1495, Prediction : 0.000000

Neg data

OPReactantPairId: 2099, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[C:11](=[CH:10]C)C.CCC(=CC)C.[OH3+]

OrbPairId : 2136, Prediction : 0.000000

Neg data

OPReactantPairId: 1528, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[C+:20]1CCCC1.CC(C)[C+]1CCCC1.[Br-:10].[Br-]

OrbPairId : 1524, Prediction : 0.000000

Neg data

OPReactantPairId: 3184, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]C(=O)CC(=O)CC1=CC=CC=C1.C1=CC=C(C=C1)CC(=O)CC(=O)O

OrbPairId : 3565, Prediction : 0.000000

Neg data

OPReactantPairId: 3339, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)OC=C)C(C)OC2=CC=CC=C2.CC(C1C=C[C+](C=C1)OC=C)OC2=CC=CC=C2.[F-:10].[F-]

OrbPairId : 3925, Prediction : 0.000000

Neg data

OPReactantPairId: 2485, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](CCC=C[O-])([NH+:21]1CCCC1)[OH:10].CC(CCC=C[O-])([NH+]1CCCC1)O

OrbPairId : 2565, Prediction : 0.000000

Neg data

OPReactantPairId: 1921, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:13]1=[C:12]2C=CC=C[C:11]2=[CH:10]C=C1.COC1=C2C=CC=CC2=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 3655, Prediction : 0.000000

Neg data

OPReactantPairId: 1728, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:11]1=[CH:10]C=C(C=C1)Br.CCOC1=CC=C(C=C1)Br.[Br:20][Br:21].BrBr

OrbPairId : 3621, Prediction : 0.000000

Neg data

OPReactantPairId: 1728, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:11]1=[CH:10]C=C(C=C1)Br.CCOC1=CC=C(C=C1)Br.[Br:20][Br:21].BrBr

OrbPairId : 1741, Prediction : 0.000000

Neg data

OPReactantPairId: 1999, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](C=C)(O)[OH:10].CC(=O)OC(C=C)(O)O

OrbPairId : 2031, Prediction : 0.000000

Neg data

OPReactantPairId: 2566, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC(=[N-:10])C#CC.CCC(=[N-])C#CC.[OH3+]

OrbPairId : 2656, Prediction : 0.000000

Neg data

OPReactantPairId: 2768, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])C1=CC=C(C=C1)I.CC[O-:10].CC[O-].CC(=O)C1=CC=C(C=C1)I

OrbPairId : 2876, Prediction : 0.000000

Neg data

OPReactantPairId: 3315, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.CO[C:13]1=[C:12]([CH:11]=[CH:10]C=C1)Br.COC1=C(C=CC=C1)Br

OrbPairId : 3866, Prediction : 0.000000
C[CH+:20]C.C[CH+]C.CO[C:11]1=[CH:10]C=CC=C1Br.COC1=CC=CC=C1Br

OrbPairId : 3867, Prediction : 0.000000

Neg data

OPReactantPairId: 2304, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(O)OC=O.CC([OH2+])(O)OC=O.[OH2:10].O

OrbPairId : 2364, Prediction : 0.000000

Neg data

OPReactantPairId: 2304, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(O)OC=O.CC([OH2+])(O)OC=O.[OH2:10].O

OrbPairId : 3748, Prediction : 0.000000

Neg data

OPReactantPairId: 2009, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[C:11]#[CH:10].CC#C.[OH3+]

OrbPairId : 2041, Prediction : 0.000000

Neg data

OPReactantPairId: 3089, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCC([C+:22]1C)(C)C)C.CC[OH:10].CCO.CC1CCC([C+]1C)(C)C

OrbPairId : 3344, Prediction : 0.000000
CC[OH:10].CCO.CC1CCC([C+:20]1C)(C)C.CC1CCC([C+]1C)(C)C

OrbPairId : 3345, Prediction : 0.000000

Neg data

OPReactantPairId: 1716, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]1CCCC1(C)C(C)Br.CC(C1(CCC[OH+]1)C)Br.[Br-:10].[Br-]

OrbPairId : 1727, Prediction : 0.000000

Neg data

OPReactantPairId: 3194, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([O-:10])[Cl:21].CC([O-])Cl

OrbPairId : 3578, Prediction : 0.000000

Neg data

OPReactantPairId: 3194, ReactionConditionsId: 5

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([O-:10])[Cl:21].CC([O-])Cl

OrbPairId : 4426, Prediction : 0.000000

Neg data

OPReactantPairId: 3317, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])C.CC(=O)C.[NH2:10]O.NO

OrbPairId : 3897, Prediction : 0.000000

Neg data

OPReactantPairId: 2588, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](CCC=O)(NC)[O-:10].CC(=O)OC(CCC=O)(NC)[O-]

OrbPairId : 2681, Prediction : 0.000000

Neg data

OPReactantPairId: 3329, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH2+:21]O.CC(NO)[OH:10].CC(NO)O.[NH3+]O

OrbPairId : 3913, Prediction : 0.000000

Neg data

OPReactantPairId: 3017, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](C)C1=CC=CC=C1.C[NH2+]C1=CC=CC=C1.[I-:10].[I-]

OrbPairId : 3151, Prediction : 0.000000

Neg data

OPReactantPairId: 1714, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1[C:20]([Br+:21]1)(C)CCC[OH:10].CC1C([Br+]1)(C)CCCO

OrbPairId : 1725, Prediction : 0.000000

Neg data

OPReactantPairId: 2766, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C=C[C+:22]1OC)C)N=NC2=CC=CC=C2.CC1=CC([C+](C=C1)OC)N=NC2=CC=CC=C2.[Cl-:10].[Cl-]

OrbPairId : 2874, Prediction : 0.000000

Neg data

OPReactantPairId: 1712, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](CCC(=O)OC(=O)C)([OH:10])[Cl:21].CCOC(CCC(=O)OC(=O)C)(O)Cl

OrbPairId : 1723, Prediction : 0.000000

Neg data

OPReactantPairId: 2015, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[CH2:10]=[CH:11]CBr.C=CCBr.[OH3+]

OrbPairId : 2047, Prediction : 0.000000

Neg data

OPReactantPairId: 2580, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](=[O:21])C.CCC(=O)C.C[CH:10]=[C:11](C)[O-:12].CC=C(C)[O-]

OrbPairId : 2672, Prediction : 0.000000

Neg data

OPReactantPairId: 2095, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC([N:10](C)C)O.CC(N(C)C)O.[OH3+]

OrbPairId : 2132, Prediction : 0.000000

Neg data

OPReactantPairId: 2580, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](=[O:21])C.CCC(=O)C.C[CH:10]=[C:11](C)[O-:12].CC=C(C)[O-]

OrbPairId : 3200, Prediction : 0.000000

Neg data

OPReactantPairId: 3209, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCC(C)[O-:10].CCC(C)[O-].CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C

OrbPairId : 3595, Prediction : 0.000000

Neg data

OPReactantPairId: 1846, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C=C[C:20](=[OH+:21])Cl.C=CC(=[OH+])Cl

OrbPairId : 1867, Prediction : 0.000000

Neg data

OPReactantPairId: 2019, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20]#[NH+:21].CCC#[NH+].[OH2:10].O

OrbPairId : 2052, Prediction : 0.000000

Neg data

OPReactantPairId: 2019, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20]#[NH+:21].CCC#[NH+].[OH2:10].O

OrbPairId : 3881, Prediction : 0.000000

Neg data

OPReactantPairId: 2079, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C1CCCCC1CCCN.C1CCC(=[OH+])C(C1)CCCN.[OH2:10].O

OrbPairId : 3760, Prediction : 0.000000

Neg data

OPReactantPairId: 2079, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C1CCCCC1CCCN.C1CCC(=[OH+])C(C1)CCCN.[OH2:10].O

OrbPairId : 2116, Prediction : 0.000000

Neg data

OPReactantPairId: 3412, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:22]=[CH:23][C+:24](C2=CC=CC=C21)OC)C(C)C.CC(C)C1C=C[C+](C2=CC=CC=C12)OC.[F-:10].[F-]

OrbPairId : 4008, Prediction : 0.000000

Neg data

OPReactantPairId: 2586, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)CCC=O.C[NH2:10].CN.C(CC(=O)O)C=O

OrbPairId : 2679, Prediction : 0.000000

Neg data

OPReactantPairId: 3303, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.C1=CC2=C(C=C1)[CH:10]=[C:11](C=C2)Br.C1=CC2=C(C=C1)C=C(C=C2)Br

OrbPairId : 3835, Prediction : 0.000000

Neg data

OPReactantPairId: 2410, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)C[CH:20]=[O:21].CC(=O)CC=O.C[NH2:10].CN

OrbPairId : 2483, Prediction : 0.000000

Neg data

OPReactantPairId: 2077, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1CCC2(C(C1)CCC[NH:10]2)O.C1CCC2(C(C1)CCCN2)O.[OH3+]

OrbPairId : 2114, Prediction : 0.000000

Neg data

OPReactantPairId: 2077, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1CCC2(C(C1)CCC[NH:10]2)O.C1CCC2(C(C1)CCCN2)O.[OH3+]

OrbPairId : 3753, Prediction : 0.000000

Neg data

OPReactantPairId: 1814, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20]#[NH+:21].CCC#[NH+].CC[OH:10].CCO

OrbPairId : 1833, Prediction : 0.000000

Neg data

OPReactantPairId: 1868, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CC[O+:21]=[CH:20]CCCCCCC(=O)C.CC[O+]=CCCCCCCC(=O)C

OrbPairId : 1891, Prediction : 0.000000

Neg data

OPReactantPairId: 2924, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CC(=O)C

OrbPairId : 3054, Prediction : 0.000000

Neg data

OPReactantPairId: 2356, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])N(C)C.CC[O-:10].CC[O-].CN(C)C(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3314, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)N(C)C.CC[O-:10].CC[O-].CN(C)C(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3317, Prediction : 0.000000

Neg data

OPReactantPairId: 2075, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1CC[C:20]2=[NH+:21]CCCC2C1.C1CCC2=[NH+]CCCC2C1.[OH2:10].O

OrbPairId : 3747, Prediction : 0.000000

Neg data

OPReactantPairId: 3402, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.C1=C[CH:10]=[C:11]2C=CC=CC2=C1.C1=CC=C2C=CC=CC2=C1

OrbPairId : 3995, Prediction : 0.000000

Neg data

OPReactantPairId: 2790, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C=C)([O-:10])[O:21]C(=O)C.CCOC(C=C)([O-])OC(=O)C

OrbPairId : 2899, Prediction : 0.000000

Neg data

OPReactantPairId: 2007, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[NH:10]C(C)(O)O.CCNC(C)(O)O.[OH3+]

OrbPairId : 2039, Prediction : 0.000000

Neg data

OPReactantPairId: 2062, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](C=C)(O)[OH:10].CC[OH+]C(C=C)(O)O

OrbPairId : 2097, Prediction : 0.000000

Neg data

OPReactantPairId: 3102, ReactionConditionsId: 1

NumPos: 4, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C+:22]1CCCC(C1)C.CC[C+]1CCCC(C1)C.CC[OH:10].CCO

OrbPairId : 3425, Prediction : 0.000000
[H:20][CH:21]1C(CCC[C+:22]1CC)C.CC[C+]1CCCC(C1)C.CC[OH:10].CCO

OrbPairId : 3426, Prediction : 0.000000
[H:20][CH:21]1CCC(C[C+:22]1CC)C.CC[C+]1CCCC(C1)C.CC[OH:10].CCO

OrbPairId : 3427, Prediction : 0.000000
CC[C+:20]1CCCC(C1)C.CC[C+]1CCCC(C1)C.CC[OH:10].CCO

OrbPairId : 3428, Prediction : 0.000000

Neg data

OPReactantPairId: 3219, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21](C(C)([O-])OC(=O)C)N=CC(CO)O.CC(=O)[O-:10].CC(=O)[O-].CC(=O)OC(C)([O-])[OH+]N=CC(CO)O

OrbPairId : 3605, Prediction : 0.000000

Neg data

OPReactantPairId: 2005, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](=[OH+:21])C.CCNC(=[OH+])C.[OH2:10].O

OrbPairId : 3738, Prediction : 0.000000

Neg data

OPReactantPairId: 2005, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:20](=[OH+:21])C.CCNC(=[OH+])C.[OH2:10].O

OrbPairId : 2037, Prediction : 0.000000

Neg data

OPReactantPairId: 2799, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.CN(C)C(=O)CC[C:20](=[O:21])C1=CC=CC=C1.CN(C)C(=O)CCC(=O)C1=CC=CC=C1

OrbPairId : 2908, Prediction : 0.000000

Neg data

OPReactantPairId: 2132, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[C:20]([N-:10]C=C1)(N)[Cl:21].C1=CC([N-]C=C1)(N)Cl

OrbPairId : 2171, Prediction : 0.000000

Neg data

OPReactantPairId: 2126, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH2:21].CC1=[C-:10]C(=CC=C1)N.CC1=[C-]C(=CC=C1)N.N

OrbPairId : 2165, Prediction : 0.000000

Neg data

OPReactantPairId: 3205, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](C)([O-:10])OC1=CC=CC=C1.CC(=O)OC(C)([O-])OC1=CC=CC=C1

OrbPairId : 3591, Prediction : 0.000000

Neg data

OPReactantPairId: 1993, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])OC(=O)C=C.CC(=[OH+])OC(=O)C=C.[OH2:10].O

OrbPairId : 2025, Prediction : 0.000000

Neg data

OPReactantPairId: 2003, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(C)Br.CC(C)([OH2+])Br.[OH2:10].O

OrbPairId : 2035, Prediction : 0.000000

Neg data

OPReactantPairId: 1848, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[C+:20]=C.C[C+]=C

OrbPairId : 1869, Prediction : 0.000000

Neg data

OPReactantPairId: 2130, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[N:23]=[CH:22][CH:21]=[C:20]1Cl.C1=CN=CC=C1Cl.[NH2-:10].[NH2-]

OrbPairId : 2169, Prediction : 0.000000

Neg data

OPReactantPairId: 1464, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH+:20]C=CC.CC[CH+]C=CC.[Br-:10].[Br-]

OrbPairId : 1456, Prediction : 0.000000

Neg data

OPReactantPairId: 3658, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH:21]C(=O)C.CC(=O)N.[OH-:10].[OH-]

OrbPairId : 4280, Prediction : 0.000000

Neg data

OPReactantPairId: 2091, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC([NH:10]C)(O)O.CC(NC)(O)O.[OH3+]

OrbPairId : 3754, Prediction : 0.000000

Neg data

OPReactantPairId: 2582, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][CH2:10][CH:20]=[CH:21]C.[Li]CC=CC

OrbPairId : 2674, Prediction : 0.000000

Neg data

OPReactantPairId: 2136, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])OC.COC(=O)CC(=O)CC1=CC=CC=C1.[NH2-:10].[NH2-]

OrbPairId : 2175, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)OC.COC(=O)CC(=O)CC1=CC=CC=C1.[NH2-:10].[NH2-]

OrbPairId : 2177, Prediction : 0.000000

Neg data

OPReactantPairId: 2065, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(=C)C1=CC=CC=C1.C=C(C1=CC=CC=C1)[OH2+].[OH2:10].O

OrbPairId : 2100, Prediction : 0.000000

Neg data

OPReactantPairId: 2797, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][O:10][C:20](CCC(=O)N(C)C)(C1=CC=CC=C1)[O:21]CC.[Li]OC(CCC(=O)N(C)C)(C1=CC=CC=C1)OCC

OrbPairId : 2906, Prediction : 0.000000

Neg data

OPReactantPairId: 1538, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=CCCBr.C(CBr)C=[OH+].[Br-:10].[Br-]

OrbPairId : 1534, Prediction : 0.000000

Neg data

OPReactantPairId: 2093, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CCC#N)(O)OCC.CCOC(CCC#N)([OH2+])O.[OH2:10].O

OrbPairId : 2130, Prediction : 0.000000

Neg data

OPReactantPairId: 3733, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](CCCC(=O)C)[C:22](=[O:23])C.CC(=O)CCCCC(=O)C.[OH-:10].[OH-]

OrbPairId : 4366, Prediction : 0.000000

Neg data

OPReactantPairId: 2890, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C(CC[O-])C[C:10](=[CH:11][O-:12])Br.C(CC[O-])CC(=C[O-])Br.[Br:20][Br:21].BrBr

OrbPairId : 3014, Prediction : 0.000000

Neg data

OPReactantPairId: 1726, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CCO[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CCOC1=CC=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 1738, Prediction : 0.000000
CCO[C:11]1=[CH:10]C=CC=C1.CCOC1=CC=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 1739, Prediction : 0.000000

Neg data

OPReactantPairId: 1726, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CCO[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CCOC1=CC=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 3618, Prediction : 0.000000
CCO[C:11]1=[CH:10]C=CC=C1.CCOC1=CC=CC=C1.[Br:20][Br:21].BrBr

OrbPairId : 3620, Prediction : 0.000000

Neg data

OPReactantPairId: 2112, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[NH+:23]=[CH:22][CH:21]=[CH2:20].C[NH+]=CC=C.[OH2:10].O

OrbPairId : 2150, Prediction : 0.000000

Neg data

OPReactantPairId: 1520, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CC(=CCC[CH:10]=[C:11](C)C)C.CC(=CCCC=C(C)C)C.Br

OrbPairId : 1516, Prediction : 0.000000

Neg data

OPReactantPairId: 1500, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[CH+:20]OC.CC(C)[CH+]OC.[Br-:10].[Br-]

OrbPairId : 1493, Prediction : 0.000000

Neg data

OPReactantPairId: 1892, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(O)OCC.CCOC(C)([OH2+])O.[OH2:10].O

OrbPairId : 3771, Prediction : 0.000000

Neg data

OPReactantPairId: 3492, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC(C=O)C(C)[O-:10].CC(C=O)C(C)[O-]

OrbPairId : 4096, Prediction : 0.000000

Neg data

OPReactantPairId: 3731, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](C)(O)[O-:10].CC(=O)OC(C)(O)[O-]

OrbPairId : 4363, Prediction : 0.000000

Neg data

OPReactantPairId: 1724, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC2=C(C=C1)[C:13](=[CH:12][CH:11]=[CH:10]2)Br.C1=CC2=C(C=C1)C(=CC=C2)Br.[Br:20][Br:21].BrBr

OrbPairId : 3647, Prediction : 0.000000

Neg data

OPReactantPairId: 1724, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC2=C(C=C1)[C:13](=[CH:12][CH:11]=[CH:10]2)Br.C1=CC2=C(C=C1)C(=CC=C2)Br.[Br:20][Br:21].BrBr

OrbPairId : 1736, Prediction : 0.000000

Neg data

OPReactantPairId: 3229, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)C(=O)O[C:11]2=[CH:10]C=C(C=C2)Br.C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)Br.[Br:20][Br:21].BrBr

OrbPairId : 3644, Prediction : 0.000000

Neg data

OPReactantPairId: 1522, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1CCC([C+:20]1C)(C)C.CC1CCC([C+]1C)(C)C.[Br-:10].[Br-]

OrbPairId : 1517, Prediction : 0.000000

Neg data

OPReactantPairId: 1524, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:10](=[CH:11]CCC[C+:20](C)C)C.CC(=CCCC[C+](C)C)C

OrbPairId : 1519, Prediction : 0.000000

Neg data

OPReactantPairId: 3217, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C.C(C(C=N[OH:10])O)O.C(C(C=NO)O)O

OrbPairId : 3604, Prediction : 0.000000

Neg data

OPReactantPairId: 3081, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[N+:23]1CCCC1)CCCC(=O)N(CC)CC.CCN(CC)C(=O)CCCC(=[N+]1CCCC1)C.CC(=C)[N:10]1CCCC1.CC(=C)N1CCCC1

OrbPairId : 3327, Prediction : 0.000000

Neg data

OPReactantPairId: 1985, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC([N:10](C)C)O.CCC(N(C)C)O.[OH3+]

OrbPairId : 2014, Prediction : 0.000000

Neg data

OPReactantPairId: 3490, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1[C:22](=[O:23])CCC2C1(CCCC2)O.CC[O-:10].CC[O-].C1CCC2(CC(=O)CCC2C1)O

OrbPairId : 4095, Prediction : 0.000000

Neg data

OPReactantPairId: 3648, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:10]=[C:11](CCC1(CCCC[C:20]1=[O:21])C)[O-:12].CC=C(CCC1(CCCCC1=O)C)[O-]

OrbPairId : 4270, Prediction : 0.000000

Neg data

OPReactantPairId: 1979, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CC)C1=CC=CC=C1.CCC(C1=CC=CC=C1)[OH2+].[OH2:10].O

OrbPairId : 2008, Prediction : 0.000000

Neg data

OPReactantPairId: 2075, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1CC[C:20]2=[NH+:21]CCCC2C1.C1CCC2=[NH+]CCCC2C1.[OH2:10].O

OrbPairId : 2112, Prediction : 0.000000

Neg data

OPReactantPairId: 1609, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10]CC.CCNCC.C[C:20](=[O:21])C.CC(=O)C

OrbPairId : 1609, Prediction : 0.000000

Neg data

OPReactantPairId: 3100, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:10][C:11]1(CCCC([CH+:20]1)CC)C.CCC1CCCC([CH+]1)C

OrbPairId : 3420, Prediction : 0.000000
[H:10][C:11]1(CCCC([CH+:20]1)C)CC.CCC1CCCC([CH+]1)C

OrbPairId : 3421, Prediction : 0.000000

Neg data

OPReactantPairId: 3083, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:11]=[CH:10][CH+:20]C1=CC=CC=C1.C=C[CH+]C1=CC=CC=C1

OrbPairId : 3329, Prediction : 0.000000

Neg data

OPReactantPairId: 1631, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.CC(C)[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CC(C)C1=CC=CC=C1

OrbPairId : 1632, Prediction : 0.000000

Neg data

OPReactantPairId: 1873, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[CH:20]=[NH+:21]C.CC=[NH+]C

OrbPairId : 1896, Prediction : 0.000000

Neg data

OPReactantPairId: 2166, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1[C:20]([OH+:21]1)(C)C.CC1C([OH+]1)(C)C.[OH2:10].O

OrbPairId : 2209, Prediction : 0.000000

Neg data

OPReactantPairId: 1969, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C)CC.CCC(=[OH+])C.[OH2:10].O

OrbPairId : 1997, Prediction : 0.000000

Neg data

OPReactantPairId: 3237, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC2=C(C=C1)[C:13](=[CH:12][CH:11]=[CH:10]2)Br.C1=CC2=C(C=C1)C(=CC=C2)Br.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3663, Prediction : 0.000000

Neg data

OPReactantPairId: 3091, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[CH+:22]OC.CC[CH+]OC.CC(C[O:10]C)Br.CC(COC)Br

OrbPairId : 3371, Prediction : 0.000000

Neg data

OPReactantPairId: 3721, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(=O)CC(C)(C)[O-:10].CC(=O)CC(C)(C)[O-].O

OrbPairId : 4353, Prediction : 0.000000

Neg data

OPReactantPairId: 3486, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C=C[C+:22]1OC(=O)CC)C(C)C.CCC(=O)O[C+]1C=CC=CC1C(C)C.[F-:10].[F-]

OrbPairId : 4092, Prediction : 0.000000

Neg data

OPReactantPairId: 1718, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10][C:20](C)(CCC(=O)OCC)[OH2+:21].CCNC(C)(CCC(=O)OCC)[OH2+]

OrbPairId : 1729, Prediction : 0.000000

Neg data

OPReactantPairId: 3235, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[CH:10]=[C:11]2C=CC=CC2=C1.C1=CC=C2C=CC=CC2=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3654, Prediction : 0.000000

Neg data

OPReactantPairId: 1619, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.C[C:20]1(C[OH+:21]1)C.CC1(C[OH+]1)C

OrbPairId : 1619, Prediction : 0.000000

Neg data

OPReactantPairId: 2291, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC=[C+:20]C1=CC=CC=C1.CC=[C+]C1=CC=CC=C1.[OH2:10].O

OrbPairId : 2350, Prediction : 0.000000

Neg data

OPReactantPairId: 1703, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C)([OH:10])[O:21]C(=O)C.CCOC(C)(O)OC(=O)C

OrbPairId : 1713, Prediction : 0.000000

Neg data

OPReactantPairId: 3480, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:22](=[O:23])[CH:21]=[CH2:20].CC(=O)C=C.C1CC[C:11](=[CH:10]C1)[O-:12].C1CCC(=CC1)[O-]

OrbPairId : 4085, Prediction : 0.000000

Neg data

OPReactantPairId: 3233, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:11]1=[CH:10]C=C(C=C1Br)Br.COC1=CC=C(C=C1Br)Br.[Br:20][Br:21].BrBr

OrbPairId : 3650, Prediction : 0.000000

Neg data

OPReactantPairId: 2110, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(CC(=O)C)O.CC(=O)CC(=[OH+])O.[OH2:10].O

OrbPairId : 2148, Prediction : 0.000000

Neg data

OPReactantPairId: 2110, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(CC(=O)C)O.CC(=O)CC(=[OH+])O.[OH2:10].O

OrbPairId : 3894, Prediction : 0.000000

Neg data

OPReactantPairId: 3482, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)OC(=O)CC)C(C)C.CCC(=O)O[C+]1C=CC(C=C1)C(C)C.[F-:10].[F-]

OrbPairId : 4087, Prediction : 0.000000

Neg data

OPReactantPairId: 2190, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])C.CC(=O)C.C[C:11](=[CH2:10])[O-:12].CC(=C)[O-]

OrbPairId : 3288, Prediction : 0.000000

Neg data

OPReactantPairId: 2190, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])C.CC(=O)C.C[C:11](=[CH2:10])[O-:12].CC(=C)[O-]

OrbPairId : 2235, Prediction : 0.000000

Neg data

OPReactantPairId: 2087, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(C)CO.CC(C)(CO)[OH2+].[OH2:10].O

OrbPairId : 2123, Prediction : 0.000000

Neg data

OPReactantPairId: 2606, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].[CH2:20]=[CH:21][CH:22]=[O:23].C=CC=O

OrbPairId : 3253, Prediction : 0.000000

Neg data

OPReactantPairId: 3488, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.C1CCC2(CC(=O)CCC2C1)[O-:10].C1CCC2(CC(=O)CCC2C1)[O-]

OrbPairId : 4093, Prediction : 0.000000

Neg data

OPReactantPairId: 1894, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C)O.CC(=[OH+])O.[OH2:10].O

OrbPairId : 1920, Prediction : 0.000000

Neg data

OPReactantPairId: 1636, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C+:20](C)C.CC[C+](C)C.[CH:11]1=[CH:10]C=CC=C1.C1=CC=CC=C1

OrbPairId : 1637, Prediction : 0.000000

Neg data

OPReactantPairId: 2549, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:10]=[CH:11][O-:12].C=C[O-].C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr

OrbPairId : 3346, Prediction : 0.000000

Neg data

OPReactantPairId: 2527, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC#C[C:20](C)([O-:10])[Cl:21].CC#CC(C)([O-])Cl

OrbPairId : 2614, Prediction : 0.000000

Neg data

OPReactantPairId: 3118, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[N+:23]1CCCC1)CCCC(=O)NCC.CCNC(=O)CCCC(=[N+]1CCCC1)C.CC(=C)[N:10]1CCCC1.CC(=C)N1CCCC1

OrbPairId : 3478, Prediction : 0.000000

Neg data

OPReactantPairId: 1630, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1CC[C:20]2(C(C1)CCC[NH:10]2)[OH2+:21].C1CCC2(C(C1)CCCN2)[OH2+]

OrbPairId : 1631, Prediction : 0.000000

Neg data

OPReactantPairId: 2162, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21]C1=CC=NC=C1.CC1=CC=NC=C1.[NH2-:10].[NH2-]

OrbPairId : 2205, Prediction : 0.000000

Neg data

OPReactantPairId: 1897, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[CH:20]=[O+:21]C.CC(C)C=[O+]C.[OH2:10].O

OrbPairId : 1923, Prediction : 0.000000

Neg data

OPReactantPairId: 3569, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([CH-:10]C#N)[OH:21].CC([CH-]C#N)O

OrbPairId : 4183, Prediction : 0.000000

Neg data

OPReactantPairId: 1862, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH+:20]C=CC.CC[CH+]C=CC.CC[OH:10].CCO

OrbPairId : 1884, Prediction : 0.000000

Neg data

OPReactantPairId: 2529, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC#[C-:10].CC#[C-].CC#C[C:20](=[O:21])C.CC#CC(=O)C

OrbPairId : 2615, Prediction : 0.000000

Neg data

OPReactantPairId: 2164, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC1C([O:10]1)(C)C.CC1C(O1)(C)C.[OH3+]

OrbPairId : 2207, Prediction : 0.000000

Neg data

OPReactantPairId: 1919, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)CC[CH:20]=[O+:21]CC[OH:10].CC(=O)CCC=[O+]CCO

OrbPairId : 1945, Prediction : 0.000000

Neg data

OPReactantPairId: 3021, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C1CCC(CC1)N=[C:20]=[N:21]C2CCCCC2.C1CCC(CC1)N=C=NC2CCCCC2.C(CCN)CC(=O)[OH:10].C(CCN)CC(=O)O

OrbPairId : 3155, Prediction : 0.000000

Neg data

OPReactantPairId: 2985, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(C)[CH:20]1C[Br+:21]1.CC(C)C1C[Br+]1.[OH2:10].O

OrbPairId : 3117, Prediction : 0.000000

Neg data

OPReactantPairId: 1639, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[N:10](CC)[CH:20](C)[OH2+:21].CCN(CC)C(C)[OH2+]

OrbPairId : 1640, Prediction : 0.000000

Neg data

OPReactantPairId: 2108, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[O:10]C(CC(=O)C)(O)O.CCOC(CC(=O)C)(O)O.[OH3+]

OrbPairId : 3890, Prediction : 0.000000

Neg data

OPReactantPairId: 2108, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[O:10]C(CC(=O)C)(O)O.CCOC(CC(=O)C)(O)O.[OH3+]

OrbPairId : 2146, Prediction : 0.000000

Neg data

OPReactantPairId: 1617, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:20](C1=CC=CC=C1)([OH2+:21])[OH:10].COC(C1=CC=CC=C1)([OH2+])O

OrbPairId : 1617, Prediction : 0.000000

Neg data

OPReactantPairId: 3654, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(C[N+](=O)[O-])[O-:10].CC(C[N+](=O)[O-])[O-].O

OrbPairId : 4276, Prediction : 0.000000

Neg data

OPReactantPairId: 2547, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH2:20][Br:21].CCBr.[N-]=[N+]=[N-:10].[N-]=[N+]=[N-]

OrbPairId : 2635, Prediction : 0.000000

Neg data

OPReactantPairId: 3560, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21]C#N.CC[O-:10].CC[O-].CC#N

OrbPairId : 4174, Prediction : 0.000000

Neg data

OPReactantPairId: 2089, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[OH+:21])CCC#N.CCOC(=[OH+])CCC#N.[OH2:10].O

OrbPairId : 2127, Prediction : 0.000000

Neg data

OPReactantPairId: 3656, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)OCC)[C:22](=[O:23])OCC.CCOC(=O)CC(=O)OCC.[OH-:10].[OH-]

OrbPairId : 4278, Prediction : 0.000000

Neg data

OPReactantPairId: 2545, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:21][C:20]1(C=CC=C[N-:10]1)C=C.C=CC1C=CC=C[N-]1

OrbPairId : 2633, Prediction : 0.000000

Neg data

OPReactantPairId: 2194, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])C)C(=O)CC1=CC=CC=C1.CC[O-:10].CC[O-].CC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 2239, Prediction : 0.000000
[H:20][CH:21](C(=O)C)[C:22](=[O:23])CC1=CC=CC=C1.CC[O-:10].CC[O-].CC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 2242, Prediction : 0.000000

Neg data

OPReactantPairId: 2543, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCOC(=O)C[C:20](C)([O-:10])[O:21]C.CCOC(=O)CC(C)([O-])OC

OrbPairId : 3277, Prediction : 0.000000

Neg data

OPReactantPairId: 2543, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCOC(=O)C[C:20](C)([O-:10])[O:21]C.CCOC(=O)CC(C)([O-])OC

OrbPairId : 2631, Prediction : 0.000000

Neg data

OPReactantPairId: 2106, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(CC)C(C)CC.CCC(C)C(C)(CC)[OH2+].[OH2:10].O

OrbPairId : 2144, Prediction : 0.000000

Neg data

OPReactantPairId: 2196, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](C(C(=O)C)C(=O)OC)([O-:10])[Cl:21].CCC(C(C(=O)C)C(=O)OC)([O-])Cl

OrbPairId : 2240, Prediction : 0.000000

Neg data

OPReactantPairId: 2196, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](C(C(=O)C)C(=O)OC)([O-:10])[Cl:21].CCC(C(C(=O)C)C(=O)OC)([O-])Cl

OrbPairId : 3160, Prediction : 0.000000

Neg data

OPReactantPairId: 3676, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC(C)[CH2:20][Br:21].CC(C)CBr.[OH-:10].[OH-]

OrbPairId : 4302, Prediction : 0.000000
[H:20][C:21](C)(C)[CH2:22][Br:23].CC(C)CBr.[OH-:10].[OH-]

OrbPairId : 4304, Prediction : 0.000000

Neg data

OPReactantPairId: 2995, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)C(CC)Br.CCC(C(C)[OH2+])Br.[OH2:10].O

OrbPairId : 3128, Prediction : 0.000000

Neg data

OPReactantPairId: 1977, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20]([NH3+:21])(O)[OH:10].CC([NH3+])(O)O

OrbPairId : 2005, Prediction : 0.000000

Neg data

OPReactantPairId: 3225, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
CO[C:13]1=[CH:12][CH:11]=[CH:10]C(=C1)[N+](=O)[O-].COC1=CC=CC(=C1)[N+](=O)[O-].[Br:20][Br:21].BrBr

OrbPairId : 3634, Prediction : 0.000000
CO[C:11]1=[CH:10]C=CC(=C1)[N+](=O)[O-].COC1=CC=CC(=C1)[N+](=O)[O-].[Br:20][Br:21].BrBr

OrbPairId : 3635, Prediction : 0.000000

Neg data

OPReactantPairId: 1494, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].CC[C:10](=[C:11](C)CC)C.CCC(=C(C)CC)C.Br

OrbPairId : 1492, Prediction : 0.000000

Neg data

OPReactantPairId: 2287, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].C=C[C:20](=[O:21])Cl.C=CC(=O)Cl

OrbPairId : 2345, Prediction : 0.000000

Neg data

OPReactantPairId: 2555, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](CCC(=O)N(C)C)([C:21]#N)[O-:10].CCOC(CCC(=O)N(C)C)(C#N)[O-]

OrbPairId : 2645, Prediction : 0.000000

Neg data

OPReactantPairId: 3755, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].C[CH2:4][C:11](=[CH:10]CC1(CCCCC1=O)C)[O-:12].CCC(=CCC1(CCCCC1=O)C)[O-].O

OrbPairId : 4390, Prediction : 0.000000

Neg data

OPReactantPairId: 3674, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(CC#N)[O-:10].CC(CC#N)[O-].O

OrbPairId : 4299, Prediction : 0.000000

Neg data

OPReactantPairId: 3227, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:13]1=[C:12]([CH:11]=[CH:10]C(=C1)[N+](=O)[O-])Br.COC1=C(C=CC(=C1)[N+](=O)[O-])Br.[Br:20][Br:21].BrBr

OrbPairId : 3638, Prediction : 0.000000

Neg data

OPReactantPairId: 1975, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C=C.C[CH+]C=C.[OH2:10].O

OrbPairId : 2003, Prediction : 0.000000

Neg data

OPReactantPairId: 1882, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](C)([N:10]1CCCC1)[OH2+:21].CCC(C)(N1CCCC1)[OH2+]

OrbPairId : 2844, Prediction : 0.000000

Neg data

OPReactantPairId: 2557, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCNC[CH:10]=[C:11](C)[O-:12].CCNCC=C(C)[O-].[OH3+]

OrbPairId : 2647, Prediction : 0.000000

Neg data

OPReactantPairId: 2989, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CBr)C=C.C=CC(CBr)[OH2+].[OH2:10].O

OrbPairId : 3121, Prediction : 0.000000

Neg data

OPReactantPairId: 1461, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].[CH:10]#[C:11]C1=CC=CC=C1.C#CC1=CC=CC=C1.Br

OrbPairId : 1453, Prediction : 0.000000

Neg data

OPReactantPairId: 3554, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[O-:12].CC(=C)[O-].C1=CC=C(C=C1)[CH:20]=[O:21].C1=CC=C(C=C1)C=O

OrbPairId : 4167, Prediction : 0.000000

Neg data

OPReactantPairId: 3757, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC1C(=O)CCC2(C1(CCCC2)[O-:10])C.CC1C(=O)CCC2(C1(CCCC2)[O-])C.O

OrbPairId : 4392, Prediction : 0.000000

Neg data

OPReactantPairId: 3508, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[CH:6]C(=C[C+:22]1OC)[N+](=O)[O-])C(C)C.CC(C)C1C=CC(=C[C+]1OC)[N+](=O)[O-].[F-:10].[F-]

OrbPairId : 4114, Prediction : 0.000000

Neg data

OPReactantPairId: 2551, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:10]=[C:11](CCC[CH2:20][Br:21])[O-:12].C=C(CCCCBr)[O-]

OrbPairId : 3468, Prediction : 0.000000

Neg data

OPReactantPairId: 2987, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(C)C(C)Br.CC(C(C)(C)[OH2+])Br.[OH2:10].O

OrbPairId : 3119, Prediction : 0.000000

Neg data

OPReactantPairId: 2551, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:10]=[C:11](CCC[CH2:20][Br:21])[O-:12].C=C(CCCCBr)[O-]

OrbPairId : 2640, Prediction : 0.000000

Neg data

OPReactantPairId: 3023, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C1CCC(CC1)NC(=NC2CCCCC2)O[C:20](=[O:21])CCCC[NH2:10].C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCCCN

OrbPairId : 3157, Prediction : 0.000000

Neg data

OPReactantPairId: 3289, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C(C)C(=O)OCC)OCC.CCOC(=[OH+])C(C)C(=O)OCC.[OH2:10].O

OrbPairId : 3790, Prediction : 0.000000
CCO[C:20](=[OH+:21])C(C)C(=O)OCC.CCOC(=[OH+])C(C)C(=O)OCC.[OH2:10].O

OrbPairId : 3792, Prediction : 0.000000

Neg data

OPReactantPairId: 2620, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[O:21].CC=O.[C-:10]#N.[C-]#N

OrbPairId : 2714, Prediction : 0.000000

Neg data

OPReactantPairId: 3178, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)[N+](=O)[O-].C1=CC=C(C=C1)CC(=O)C[N+](=O)[O-]

OrbPairId : 3557, Prediction : 0.000000

Neg data

OPReactantPairId: 3122, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[N+:23]1CCCC1)CCCC(=O)N.CC(=C)[N:10]1CCCC1.CC(=C)N1CCCC1.CC(=[N+]1CCCC1)CCCC(=O)N

OrbPairId : 3484, Prediction : 0.000000

Neg data

OPReactantPairId: 2531, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[N:10](CC)[C:20](C)(C#CC)[OH2+:21].CCN(CC)C(C)(C#CC)[OH2+]

OrbPairId : 2618, Prediction : 0.000000

Neg data

OPReactantPairId: 1965, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=CCCCCO.C(CCO)CC=[OH+].[OH2:10].O

OrbPairId : 3730, Prediction : 0.000000

Neg data

OPReactantPairId: 3578, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)CCC(=O)C.CC(=O)CCC(=O)O.[OH-:10].[OH-]

OrbPairId : 4193, Prediction : 0.000000

Neg data

OPReactantPairId: 1471, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].C[CH:11]=[CH2:10].CC=C.Br

OrbPairId : 1464, Prediction : 0.000000

Neg data

OPReactantPairId: 3642, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])OC.CC(=O)OC.[OH-:10].[OH-]

OrbPairId : 4263, Prediction : 0.000000

Neg data

OPReactantPairId: 1536, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][Br:21].C([CH:10]=[CH:11][OH:12])Br.C(C=CO)Br.Br

OrbPairId : 1532, Prediction : 0.000000

Neg data

OPReactantPairId: 3120, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH2:21]C1=CC=NC=C1.CC1=CC=NC=C1

OrbPairId : 3481, Prediction : 0.000000

Neg data

OPReactantPairId: 3239, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C=C[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.C=CC1=CC=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3667, Prediction : 0.000000
C=C[C:11]1=[CH:10]C=CC=C1.C=CC1=CC=CC=C1.[N+:20](=O)=[O:21].[N+](=O)=O

OrbPairId : 3668, Prediction : 0.000000

Neg data

OPReactantPairId: 2128, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
C=[C:20]([O-:10])[Cl:21].C=C([O-])Cl

OrbPairId : 2973, Prediction : 0.000000

Neg data

OPReactantPairId: 3299, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
[CH2+:20]C1=CC=CC=C1.[CH2+]C1=CC=CC=C1.[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)CBr.C1=CC=C(C=C1)CBr

OrbPairId : 3822, Prediction : 0.000000
[CH2+:20]C1=CC=CC=C1.[CH2+]C1=CC=CC=C1.C1=C[CH:10]=[C:11](C=C1)CBr.C1=CC=C(C=C1)CBr

OrbPairId : 3824, Prediction : 0.000000

Neg data

OPReactantPairId: 1552, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)[C:20](C)([OH:10])[O:21]C(=O)C.CCN(CC)C(C)(O)OC(=O)C

OrbPairId : 1548, Prediction : 0.000000

Neg data

OPReactantPairId: 3743, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])NC.CNC(=O)CC(=O)CC1=CC=CC=C1.[OH-:10].[OH-]

OrbPairId : 4377, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)NC.CNC(=O)CC(=O)CC1=CC=CC=C1.[OH-:10].[OH-]

OrbPairId : 4378, Prediction : 0.000000

Neg data

OPReactantPairId: 2640, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[O:21])C.CCOC(=O)C.[CH2-:10]C1=CC=NC=C1.[CH2-]C1=CC=NC=C1

OrbPairId : 2737, Prediction : 0.000000

Neg data

OPReactantPairId: 1909, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)[C:20](=[OH+:21])C.CCN(CC)C(=[OH+])C.CC[OH:10].CCO

OrbPairId : 1935, Prediction : 0.000000

Neg data

OPReactantPairId: 3678, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
CC(C)[CH:20](C)[Br:21].CC(C)C(C)Br.[OH-:10].[OH-]

OrbPairId : 4306, Prediction : 0.000000
[H:20][C:21](C)(C)[CH:22](C)[Br:23].CC(C)C(C)Br.[OH-:10].[OH-]

OrbPairId : 4309, Prediction : 0.000000

Neg data

OPReactantPairId: 2642, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[O:21])CC1=CC=NC=C1.CC(=O)CC1=CC=NC=C1.[CH2-:10]C1=CC=NC=C1.[CH2-]C1=CC=NC=C1

OrbPairId : 2739, Prediction : 0.000000

Neg data

OPReactantPairId: 3009, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CCCC(C)[O-:10].CCCC(C)[O-].O

OrbPairId : 3143, Prediction : 0.000000

Neg data

OPReactantPairId: 2614, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC=CC(C)(C(C=C)C(=O)C)[O-:10].CC=CC(C)(C(C=C)C(=O)C)[O-].[OH3+]

OrbPairId : 2708, Prediction : 0.000000

Neg data

OPReactantPairId: 3443, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C)([CH-:10][N+](=O)[O-])[OH:21].CC(C)([CH-][N+](=O)[O-])O

OrbPairId : 4047, Prediction : 0.000000

Neg data

OPReactantPairId: 2278, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C1(CCC(CC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)OCCO.C1CC(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)([OH2+])OCCO.[OH2:10].O

OrbPairId : 2337, Prediction : 0.000000

Neg data

OPReactantPairId: 2281, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:10](=[C:11](C)[O-:12])C.CC(=C(C)[O-])C.C[C:20](=[O:21])Cl.CC(=O)Cl

OrbPairId : 3256, Prediction : 0.000000

Neg data

OPReactantPairId: 2862, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(=[O:10])O.CC(=O)O.[OH3+]

OrbPairId : 2979, Prediction : 0.000000

Neg data

OPReactantPairId: 3116, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][N:21](C)C(=O)C=C(CC1=CC=CC=C1)O.CNC(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 3475, Prediction : 0.000000

Neg data

OPReactantPairId: 2383, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=[N+]1CCCC1)C[C:20](C=C)([O-:10])[Cl:21].CC(=[N+]1CCCC1)CC(C=C)([O-])Cl

OrbPairId : 2455, Prediction : 0.000000

Neg data

OPReactantPairId: 2383, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=[N+]1CCCC1)C[C:20](C=C)([O-:10])[Cl:21].CC(=[N+]1CCCC1)CC(C=C)([O-])Cl

OrbPairId : 3261, Prediction : 0.000000

Neg data

OPReactantPairId: 2632, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.C[C:20](=[O:21])OC(=O)C=C.CC(=O)OC(=O)C=C

OrbPairId : 2728, Prediction : 0.000000
C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.CC(=O)O[C:20](=[O:21])C=C.CC(=O)OC(=O)C=C

OrbPairId : 2729, Prediction : 0.000000

Neg data

OPReactantPairId: 3114, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21]C1C(O1)C.CC1C(O1)O

OrbPairId : 3473, Prediction : 0.000000

Neg data

OPReactantPairId: 2632, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.C[C:20](=[O:21])OC(=O)C=C.CC(=O)OC(=O)C=C

OrbPairId : 3485, Prediction : 0.000000
C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.CC(=O)O[C:20](=[O:21])C=C.CC(=O)OC(=O)C=C

OrbPairId : 3486, Prediction : 0.000000

Neg data

OPReactantPairId: 2202, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
C1=C[C:21]#[C:20]N=C1.C1=CC#CN=C1.[NH2-:10].[NH2-]

OrbPairId : 2250, Prediction : 0.000000
C1=C[C:20]#[C:21]N=C1.C1=CC#CN=C1.[NH2-:10].[NH2-]

OrbPairId : 2251, Prediction : 0.000000

Neg data

OPReactantPairId: 1927, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)O.C1=CC=C(C=C1)O.[Br:20][Br:21].BrBr

OrbPairId : 3623, Prediction : 0.000000
C1=C[CH:10]=[C:11](C=C1)O.C1=CC=C(C=C1)O.[Br:20][Br:21].BrBr

OrbPairId : 3626, Prediction : 0.000000

Neg data

OPReactantPairId: 2535, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(=O)CC[CH:10]=[C:11](C)[O-:12].CC(=O)CCC=C(C)[O-].[OH3+]

OrbPairId : 2622, Prediction : 0.000000

Neg data

OPReactantPairId: 2846, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)C(C=C)([O-])OC(=O)C.CC[NH2+]C(C=C)([O-])OC(=O)C.[OH2:10].O

OrbPairId : 2960, Prediction : 0.000000

Neg data

OPReactantPairId: 2634, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)C[C:20](C)([NH+:21]1CCCC1)[OH:10].CC(=O)CC(C)([NH+]1CCCC1)O

OrbPairId : 2731, Prediction : 0.000000

Neg data

OPReactantPairId: 2844, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][NH+:21](CC)C(C)([O-])OC(=O)C=C.CC[NH2+]C(C)([O-])OC(=O)C=C.[OH2:10].O

OrbPairId : 2957, Prediction : 0.000000

Neg data

OPReactantPairId: 1963, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C1CC[O:10]C(C1)O.C1CCOC(C1)O.[OH3+]

OrbPairId : 1991, Prediction : 0.000000

Neg data

OPReactantPairId: 2533, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.C[C:22](=[O:23])[CH:21]=[CH2:20].CC(=O)C=C

OrbPairId : 3290, Prediction : 0.000000

Neg data

OPReactantPairId: 2348, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20](C(=O)C)[Br:21].CC(C(=O)C)Br.[C-:10]#N.[C-]#N

OrbPairId : 2412, Prediction : 0.000000

Neg data

OPReactantPairId: 2533, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[CH2:10])[N:12]1CCCC1.CC(=C)N1CCCC1.C[C:22](=[O:23])[CH:21]=[CH2:20].CC(=O)C=C

OrbPairId : 2620, Prediction : 0.000000

Neg data

OPReactantPairId: 2816, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C1CC[NH+:21](CC1)[CH:20](CCC2=CC=CC=C2)[OH:10].C1CC[NH+](CC1)C(CCC2=CC=CC=C2)O

OrbPairId : 2926, Prediction : 0.000000

Neg data

OPReactantPairId: 2848, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C1C[CH:10]=[C:11](C1)[O-:12].C1CC=C(C1)[O-].C1=CC=C(C=C1)[CH:20]=[O:21].C1=CC=C(C=C1)C=O

OrbPairId : 2962, Prediction : 0.000000

Neg data

OPReactantPairId: 2673, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:10]=[C:11](C)[O-:12].CC=C(C)[O-].[CH3:20][Br:21].CBr

OrbPairId : 2770, Prediction : 0.000000

Neg data

OPReactantPairId: 2673, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:10]=[C:11](C)[O-:12].CC=C(C)[O-].[CH3:20][Br:21].CBr

OrbPairId : 3251, Prediction : 0.000000

Neg data

OPReactantPairId: 2395, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.CCOC(=O)CC[C:20](=[O:21])Cl.CCOC(=O)CCC(=O)Cl

OrbPairId : 2467, Prediction : 0.000000

Neg data

OPReactantPairId: 2628, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].[Li:11][O:10]C(C1CCC2(CC1)OCCO2)(C3=CC=CC=C3)C4=CC=CC=C4.[Li]OC(C1CCC2(CC1)OCCO2)(C3=CC=CC=C3)C4=CC=CC=C4.[OH3+]

OrbPairId : 2722, Prediction : 0.000000

Neg data

OPReactantPairId: 2549, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:10]=[CH:11][O-:12].C=C[O-].C1=CC=C(C=C1)[CH2:20][Br:21].C1=CC=C(C=C1)CBr

OrbPairId : 2638, Prediction : 0.000000

Neg data

OPReactantPairId: 2198, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11]1(CCC[CH+:20]1)[CH3:10].CC1(CCC[CH+]1)C

OrbPairId : 2244, Prediction : 0.000000

Neg data

OPReactantPairId: 2378, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])NCC.CCNC(=O)C.CC[O-:10].CC[O-]

OrbPairId : 2450, Prediction : 0.000000

Neg data

OPReactantPairId: 2276, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1C[C:20](=[O+:21]CCO)CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O.C1CC(=[O+]CCO)CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[OH2:10].O

OrbPairId : 2336, Prediction : 0.000000

Neg data

OPReactantPairId: 2818, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].CC(=O)[CH2:20][Br:21].CC(=O)CBr

OrbPairId : 2928, Prediction : 0.000000

Neg data

OPReactantPairId: 2228, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[OH+:21])CC(=O)OCC.CCOC(=[OH+])CC(=O)OCC.[OH2:10].O

OrbPairId : 3823, Prediction : 0.000000

Neg data

OPReactantPairId: 2228, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[OH+:21])CC(=O)OCC.CCOC(=[OH+])CC(=O)OCC.[OH2:10].O

OrbPairId : 2280, Prediction : 0.000000

Neg data

OPReactantPairId: 3007, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[N:10](CC)CC.CCN(CC)CC.[CH3:20][I:21].CI

OrbPairId : 3141, Prediction : 0.000000

Neg data

OPReactantPairId: 2477, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C(C=C=[N-:10])C#N.C(C=C=[N-])C#N.[OH3+]

OrbPairId : 2556, Prediction : 0.000000

Neg data

OPReactantPairId: 3441, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC(C)(C[N+](=O)[O-])[O-:10].CC(C)(C[N+](=O)[O-])[O-]

OrbPairId : 4045, Prediction : 0.000000

Neg data

OPReactantPairId: 2878, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(CC)O.CCC(C)([OH2+])O.[OH2:10].O

OrbPairId : 3001, Prediction : 0.000000

Neg data

OPReactantPairId: 3110, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][O:21][C:1](=[CH:3]C(=O)OC)CC1=CC=CC=C1.COC(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 3467, Prediction : 0.000000

Neg data

OPReactantPairId: 3050, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCCC([CH:22]1[N+:23](C)(C)C)C=CC)C.CC=CC1CCCC(C1[N+](C)(C)C)C.[OH-:10].[OH-]

OrbPairId : 3189, Prediction : 0.000000
[H:20][C:21]1(CCCC([CH:22]1[N+:23](C)(C)C)C)C=CC.CC=CC1CCCC(C1[N+](C)(C)C)C.[OH-:10].[OH-]

OrbPairId : 3193, Prediction : 0.000000

Neg data

OPReactantPairId: 2031, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]([NH2+:21]C)[OH:10].CC([NH2+]C)O

OrbPairId : 2064, Prediction : 0.000000

Neg data

OPReactantPairId: 3500, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]([C:10](=[CH:11][O-:12])C)[OH:21].CCC(C(=C[O-])C)O

OrbPairId : 4105, Prediction : 0.000000

Neg data

OPReactantPairId: 2874, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(CC)CBr.CCC(=[OH+])CBr.[OH2:10].O

OrbPairId : 2997, Prediction : 0.000000

Neg data

OPReactantPairId: 2559, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCN(CC)C(=CCC[C:20](C)([NH+:21]1CCCC1)[OH:10])[O-].CCN(CC)C(=CCCC(C)([NH+]1CCCC1)O)[O-]

OrbPairId : 2649, Prediction : 0.000000

Neg data

OPReactantPairId: 2216, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C)CCO.CC(=[OH+])CCO.[OH2:10].O

OrbPairId : 2265, Prediction : 0.000000

Neg data

OPReactantPairId: 1914, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCOC(=O)CC[C:20](C)([OH2+:21])[O:10]CC.CCOC(=O)CCC(C)([OH2+])OCC

OrbPairId : 1940, Prediction : 0.000000

Neg data

OPReactantPairId: 2611, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](C#N)([O-:10])[Cl:21].CC(C#N)([O-])Cl

OrbPairId : 2705, Prediction : 0.000000

Neg data

OPReactantPairId: 2665, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC1=C[CH:10]=[C:11](C=C1)N(C)C.CC1=CC=C(C=C1)N(C)C.C1=CC=C(C=C1)[N+:21]#[N:20].C1=CC=C(C=C1)[N+]#N

OrbPairId : 2763, Prediction : 0.000000

Neg data

OPReactantPairId: 1591, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]=[OH+:21].CCC=[OH+].C[CH:10]=[CH:11][OH:12].CC=CO

OrbPairId : 1591, Prediction : 0.000000

Neg data

OPReactantPairId: 1911, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CCOC(=O)CC[C:20](=[OH+:21])C.CCOC(=O)CCC(=[OH+])C

OrbPairId : 1937, Prediction : 0.000000

Neg data

OPReactantPairId: 3287, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](C(C)C(=O)C)(O)[OH:10].CC[OH+]C(C(C)C(=O)C)(O)O

OrbPairId : 3785, Prediction : 0.000000

Neg data

OPReactantPairId: 3502, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:11](=[C:10](CCC[CH2:20][Br:21])C(=O)C)[O-:12].CC(=C(CCCCBr)C(=O)C)[O-]

OrbPairId : 4108, Prediction : 0.000000

Neg data

OPReactantPairId: 2872, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C)(O)O.CC([OH2+])(O)O.[OH2:10].O

OrbPairId : 2995, Prediction : 0.000000

Neg data

OPReactantPairId: 3348, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[O:10]C(CNC(=O)C)(O)O.CCOC(CNC(=O)C)(O)O.[OH3+]

OrbPairId : 3935, Prediction : 0.000000

Neg data

OPReactantPairId: 2214, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]CC=C(C)O.CC(=CC[OH2+])O.[OH2:10].O

OrbPairId : 2262, Prediction : 0.000000

Neg data

OPReactantPairId: 3167, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[CH2:20]([C:21]#N)[O-:10].C(C#N)[O-]

OrbPairId : 3543, Prediction : 0.000000

Neg data

OPReactantPairId: 3451, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC1(CCC(=O)C1)[O-:10].CC1(CCC(=O)C1)[O-]

OrbPairId : 4055, Prediction : 0.000000

Neg data

OPReactantPairId: 3285, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[C+:20]=O.C[C+]=O.[CH:11]1=[CH:10]C2=CC=C(C=C2C=C1)[N+](=O)[O-].C1=CC2=CC=C(C=C2C=C1)[N+](=O)[O-]

OrbPairId : 3783, Prediction : 0.000000
C[C+:20]=O.C[C+]=O.C1=CC2=CC=C(C=C2[CH:10]=[CH:11]1)[N+](=O)[O-].C1=CC2=CC=C(C=C2C=C1)[N+](=O)[O-]

OrbPairId : 3787, Prediction : 0.000000

Neg data

OPReactantPairId: 3024, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[C:20](=[O:21])OC(=NC1CCCCC1)NC2CCCCC2.CC(=O)OC(=NC1CCCCC1)NC2CCCCC2

OrbPairId : 3158, Prediction : 0.000000

Neg data

OPReactantPairId: 1913, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10][CH:20](C)[NH+:21](C)C.CCNC(C)[NH+](C)C

OrbPairId : 1939, Prediction : 0.000000

Neg data

OPReactantPairId: 2638, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)C.CC(=C)[N:10]1CCCC1.CC(=C)N1CCCC1.CC(=O)O

OrbPairId : 2735, Prediction : 0.000000

Neg data

OPReactantPairId: 2212, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[NH:10]C(C)O.CCNC(C)O.[OH3+]

OrbPairId : 2264, Prediction : 0.000000

Neg data

OPReactantPairId: 2980, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC1CC[C:20]2(C1[Br+:21]2)C.CCC1CCC2(C1[Br+]2)C.[OH2:10].O

OrbPairId : 3112, Prediction : 0.000000

Neg data

OPReactantPairId: 3346, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](=[OH+:21])CNC(=O)C.CCOC(=[OH+])CNC(=O)C.[OH2:10].O

OrbPairId : 3933, Prediction : 0.000000

Neg data

OPReactantPairId: 2212, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC[NH:10]C(C)O.CCNC(C)O.[OH3+]

OrbPairId : 3868, Prediction : 0.000000

Neg data

OPReactantPairId: 3022, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[OH:10].CC(=O)O.C1CCC(CC1)N=[C:20]=[N:21]C2CCCCC2.C1CCC(CC1)N=C=NC2CCCCC2

OrbPairId : 3156, Prediction : 0.000000

Neg data

OPReactantPairId: 2894, ReactionConditionsId: 7

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])OC.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.COC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3018, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)OC.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.COC(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3021, Prediction : 0.000000

Neg data

OPReactantPairId: 2090, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[N+:21](C)C.CC=[N+](C)C.[OH2:10].O

OrbPairId : 2126, Prediction : 0.000000

Neg data

OPReactantPairId: 3293, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C(C)C(=O)OCC)O.CCOC(=O)C(C)C(=[OH+])O.[OH2:10].O

OrbPairId : 3796, Prediction : 0.000000

Neg data

OPReactantPairId: 1901, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[CH:10]=[C:11]2C=CC=CC2=C1.C1=CC=C2C=CC=CC2=C1.[Br:20][Br:21].BrBr

OrbPairId : 1927, Prediction : 0.000000

Neg data

OPReactantPairId: 3574, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)C=C.CC[O-:10].CC[O-].C=CC(=O)O

OrbPairId : 4188, Prediction : 0.000000

Neg data

OPReactantPairId: 2701, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:21][C:20](CCC(=O)N(C)C)(C(CC(=O)N(C)C)C(=O)OC)[O-:10].CCOC(CCC(=O)N(C)C)(C(CC(=O)N(C)C)C(=O)OC)[O-]

OrbPairId : 3366, Prediction : 0.000000

Neg data

OPReactantPairId: 2701, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O:21][C:20](CCC(=O)N(C)C)(C(CC(=O)N(C)C)C(=O)OC)[O-:10].CCOC(CCC(=O)N(C)C)(C(CC(=O)N(C)C)C(=O)OC)[O-]

OrbPairId : 2801, Prediction : 0.000000

Neg data

OPReactantPairId: 1580, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)Br.C1=CC=C(C=C1)Br

OrbPairId : 3717, Prediction : 0.000000
C[CH+:20]C.C[CH+]C.C1=C[CH:10]=[C:11](C=C1)Br.C1=CC=C(C=C1)Br

OrbPairId : 3718, Prediction : 0.000000

Neg data

OPReactantPairId: 1580, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)Br.C1=CC=C(C=C1)Br

OrbPairId : 1579, Prediction : 0.000000
C[CH+:20]C.C[CH+]C.C1=C[CH:10]=[C:11](C=C1)Br.C1=CC=C(C=C1)Br

OrbPairId : 1582, Prediction : 0.000000

Neg data

OPReactantPairId: 1907, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1CCO[C:20](C1)([OH2+:21])[OH:10].C1CCOC(C1)([OH2+])O

OrbPairId : 1933, Prediction : 0.000000

Neg data

OPReactantPairId: 1771, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)OC(=O)CC)Br.CCC(=O)O[C+]1C=CC(C=C1)Br.[Br-:10].[Br-]

OrbPairId : 1789, Prediction : 0.000000

Neg data

OPReactantPairId: 3576, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1CCC[C:3]([CH:22]1[Br:23])([H:2])C.CC1CCCCC1Br.[OH-:10].[OH-]

OrbPairId : 4190, Prediction : 0.000000

Neg data

OPReactantPairId: 3295, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CC)(O)OCC.CCC([OH2+])(O)OCC.[OH2:10].O

OrbPairId : 3798, Prediction : 0.000000

Neg data

OPReactantPairId: 2703, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
C(CC[O-:10])C[CH2:20][Br:21].C(CC[O-])CCBr

OrbPairId : 3573, Prediction : 0.000000

Neg data

OPReactantPairId: 1554, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:20](=[OH+:21])C.CC(=[OH+])C.C(C[OH:10])O.C(CO)O

OrbPairId : 1550, Prediction : 0.000000

Neg data

OPReactantPairId: 2703, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C(CC[O-:10])C[CH2:20][Br:21].C(CC[O-])CCBr

OrbPairId : 2804, Prediction : 0.000000

Neg data

OPReactantPairId: 2703, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C(CC[O-:10])C[CH2:20][Br:21].C(CC[O-])CCBr

OrbPairId : 3250, Prediction : 0.000000

Neg data

OPReactantPairId: 3624, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].C1=CC=C(C=C1)C(CC=O)[O-:10].C1=CC=C(C=C1)C(CC=O)[O-].O

OrbPairId : 4243, Prediction : 0.000000

Neg data

OPReactantPairId: 3588, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)CC(=O)C[C:20](=[O:21])Cl.C1=CC=C(C=C1)CC(=O)CC(=O)Cl.[OH-:10].[OH-]

OrbPairId : 4204, Prediction : 0.000000

Neg data

OPReactantPairId: 2763, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C

OrbPairId : 2871, Prediction : 0.000000

Neg data

OPReactantPairId: 1773, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CCC(=O)O[C:11]1=[CH:10]C=C(C=C1)Br.CCC(=O)OC1=CC=C(C=C1)Br.[Br:20][Br:21].BrBr

OrbPairId : 3616, Prediction : 0.000000

Neg data

OPReactantPairId: 3297, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC(O)(O)[O:10]CC.CCC(O)(O)OCC.[OH3+]

OrbPairId : 3799, Prediction : 0.000000

Neg data

OPReactantPairId: 1905, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C(CC[OH:10])C[C:20](=[OH+:21])O.C(CCO)CC(=[OH+])O

OrbPairId : 1931, Prediction : 0.000000

Neg data

OPReactantPairId: 1773, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCC(=O)O[C:11]1=[CH:10]C=C(C=C1)Br.CCC(=O)OC1=CC=C(C=C1)Br.[Br:20][Br:21].BrBr

OrbPairId : 1791, Prediction : 0.000000

Neg data

OPReactantPairId: 2876, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)([C:22](=[O:23])NC)Br.CC(C(=O)NC)Br.[OH-:10].[OH-]

OrbPairId : 2999, Prediction : 0.000000

Neg data

OPReactantPairId: 1775, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C=C[C+:22]1OC(=O)CC)Br)Br.CCC(=O)O[C+]1C=CC(=CC1Br)Br.[Br-:10].[Br-]

OrbPairId : 1793, Prediction : 0.000000

Neg data

OPReactantPairId: 3439, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC#N.CC[O-:10].CC[O-].C(C#N)O

OrbPairId : 4042, Prediction : 0.000000

Neg data

OPReactantPairId: 2761, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.CCOC(=O)CC[C:20](=[O:21])C.CCOC(=O)CCC(=O)C

OrbPairId : 2869, Prediction : 0.000000

Neg data

OPReactantPairId: 2901, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:10](=[C:11](C(C)(Br)Br)[O-:12])Br.CC(=C(C(C)(Br)Br)[O-])Br.[Br:20][Br:21].BrBr

OrbPairId : 3024, Prediction : 0.000000

Neg data

OPReactantPairId: 2711, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.COC1=CC=CC=C1.C1=CC=C(C=C1)[N+:21]#[N:20].C1=CC=C(C=C1)[N+]#N

OrbPairId : 2813, Prediction : 0.000000

Neg data

OPReactantPairId: 1823, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:20](C1=CC=CC=C1)([NH3+:21])[OH:10].COC(C1=CC=CC=C1)([NH3+])O

OrbPairId : 1842, Prediction : 0.000000

Neg data

OPReactantPairId: 2289, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC=C[CH:20](C)[OH2+:21].CC=CC(C)[OH2+]

OrbPairId : 2349, Prediction : 0.000000

Neg data

OPReactantPairId: 3176, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
CC(CCC(C)[O-:10])[CH:20](C)[Br:21].CC(CCC(C)[O-])C(C)Br

OrbPairId : 3555, Prediction : 0.000000

Neg data

OPReactantPairId: 3013, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](C)(CC)CC.CC[NH+](C)CC.[I-:10].[I-]

OrbPairId : 3147, Prediction : 0.000000

Neg data

OPReactantPairId: 3586, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)[N+](=O)[O-].C1=CC=C(C=C1)CC(=O)C[N+](=O)[O-].[OH-:10].[OH-]

OrbPairId : 4202, Prediction : 0.000000

Neg data

OPReactantPairId: 3580, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])NCC.CCNC(=O)C.[OH-:10].[OH-]

OrbPairId : 4195, Prediction : 0.000000

Neg data

OPReactantPairId: 2704, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].CC(=C)[CH2:20][Br:21].CC(=C)CBr

OrbPairId : 2805, Prediction : 0.000000

Neg data

OPReactantPairId: 1638, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10]CC.CCNCC.C[CH:20]=[O:21].CC=O

OrbPairId : 1639, Prediction : 0.000000

Neg data

OPReactantPairId: 2777, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21](C)C(C1=CC=CC=C1)([O-])Cl.C[OH+]C(C1=CC=CC=C1)([O-])Cl.[OH2:10].O

OrbPairId : 2885, Prediction : 0.000000

Neg data

OPReactantPairId: 3011, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CCC(C)C(C)(CC)[O-:10].CCC(C)C(C)(CC)[O-].O

OrbPairId : 3145, Prediction : 0.000000

Neg data

OPReactantPairId: 3170, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][CH:21](C#N)[C:22](=[O:23])CC1=CC=CC=C1.C1=CC=C(C=C1)CC(=O)CC#N

OrbPairId : 3548, Prediction : 0.000000

Neg data

OPReactantPairId: 2321, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[N:23]=[CH:22][CH:21]=[CH2:20].CN=CC=C

OrbPairId : 2381, Prediction : 0.000000

Neg data

OPReactantPairId: 2321, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2:10].CCN.C[N:23]=[CH:22][CH:21]=[CH2:20].CN=CC=C

OrbPairId : 3375, Prediction : 0.000000

Neg data

OPReactantPairId: 3172, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H-].[H-:10].[H:20][C:21](C)(CC)C#N.CCC(C)C#N

OrbPairId : 3550, Prediction : 0.000000

Neg data

OPReactantPairId: 1610, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[N:10](CC)[C:20](C)(C)[OH2+:21].CCN(CC)C(C)(C)[OH2+]

OrbPairId : 1610, Prediction : 0.000000

Neg data

OPReactantPairId: 2771, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(CC(=O)C1=CC=C(C=C1)I)(C2=CC=C(C=C2)I)[O-:10].CC(CC(=O)C1=CC=C(C=C1)I)(C2=CC=C(C=C2)I)[O-].[OH3+]

OrbPairId : 2879, Prediction : 0.000000

Neg data

OPReactantPairId: 2921, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH:22]=[O:23].CC=O.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3051, Prediction : 0.000000

Neg data

OPReactantPairId: 2180, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2+:21][C:20](C=C)(O)[OH:10].CC[NH2+]C(C=C)(O)O

OrbPairId : 2225, Prediction : 0.000000

Neg data

OPReactantPairId: 3572, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([CH:22]=[O:23])C(C1=CC=CC=C1)O.CC[O-:10].CC[O-].C1=CC=C(C=C1)C(CC=O)O

OrbPairId : 4186, Prediction : 0.000000

Neg data

OPReactantPairId: 2773, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])C1=CC=C(C=C1)I)C(C)(C2=CC=C(C=C2)I)O.CC[O-:10].CC[O-].CC(CC(=O)C1=CC=C(C=C1)I)(C2=CC=C(C=C2)I)O

OrbPairId : 2881, Prediction : 0.000000

Neg data

OPReactantPairId: 2923, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[C:22](C)(Br)[Br:23].CCC(C)(Br)Br.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3053, Prediction : 0.000000

Neg data

OPReactantPairId: 2235, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20](C=C)(C#N)[O-:10].CC(=O)OC(C=C)(C#N)[O-]

OrbPairId : 3410, Prediction : 0.000000

Neg data

OPReactantPairId: 2913, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)C)CC1=CC=CC=C1.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CC(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 3038, Prediction : 0.000000

Neg data

OPReactantPairId: 1798, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC=C(C=C1)[C:20]2=[CH:3][Br+:21]2.C1=CC=C(C=C1)C2=C[Br+]2.[Br-:10].[Br-]

OrbPairId : 1816, Prediction : 0.000000

Neg data

OPReactantPairId: 3790, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C.CO.C(C=CC[O-:10])[O-].C(C=CC[O-])[O-]

OrbPairId : 4431, Prediction : 0.000000

Neg data

OPReactantPairId: 2226, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[OH+:21][CH:20](CC1=CC=CC=C1)[OH:10].C[OH+]C(CC1=CC=CC=C1)O

OrbPairId : 2278, Prediction : 0.000000

Neg data

OPReactantPairId: 3053, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](CC)[CH:22]=[N+:23]1CCCCC1.CCCC=[N+]1CCCCC1.C=C[N:10]1CCCCC1.C=CN1CCCCC1

OrbPairId : 3192, Prediction : 0.000000

Neg data

OPReactantPairId: 2020, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(=N)CC.CCC(=N)[OH2+].[OH2:10].O

OrbPairId : 2053, Prediction : 0.000000

Neg data

OPReactantPairId: 2020, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(=N)CC.CCC(=N)[OH2+].[OH2:10].O

OrbPairId : 3883, Prediction : 0.000000

Neg data

OPReactantPairId: 2752, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
CC[CH:20](CC)[Br:21].CCC(CC)Br.CC[O-:10].CC[O-]

OrbPairId : 2858, Prediction : 0.000000
[H:20][CH:21](C)[CH:22](CC)[Br:23].CCC(CC)Br.CC[O-:10].CC[O-]

OrbPairId : 2860, Prediction : 0.000000

Neg data

OPReactantPairId: 2000, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C=C)O.C=CC(=[OH+])O.[OH2:10].O

OrbPairId : 2032, Prediction : 0.000000
[CH2:20]=[CH:21][C:22](=[OH+:23])O.C=CC(=[OH+])O.[OH2:10].O

OrbPairId : 2332, Prediction : 0.000000

Neg data

OPReactantPairId: 2779, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:20](C1=CC=CC=C1)([O-:10])[Cl:21].COC(C1=CC=CC=C1)([O-])Cl

OrbPairId : 3229, Prediction : 0.000000

Neg data

OPReactantPairId: 2779, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CO[C:20](C1=CC=CC=C1)([O-:10])[Cl:21].COC(C1=CC=CC=C1)([O-])Cl

OrbPairId : 2887, Prediction : 0.000000

Neg data

OPReactantPairId: 2929, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][C:22](=[O:23])C=CC.CC=CC(=O)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3060, Prediction : 0.000000

Neg data

OPReactantPairId: 3358, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH+:21][C:20](C(CC1=CC=CC=C1)(C(=O)OCC)NC(=O)C)(O)[OH:10].CC[OH+]C(C(CC1=CC=CC=C1)(C(=O)OCC)NC(=O)C)(O)O

OrbPairId : 3946, Prediction : 0.000000

Neg data

OPReactantPairId: 2931, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)([CH:22](C)[Br:23])Br.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CC(C(C)Br)Br

OrbPairId : 3061, Prediction : 0.000000

Neg data

OPReactantPairId: 2750, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[C-:10]#N.[C-]#N.C(C[CH2:20][Br:21])CBr.C(CCBr)CBr

OrbPairId : 2856, Prediction : 0.000000

Neg data

OPReactantPairId: 2022, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](=[NH2+:21])O.CCC(=[NH2+])O.[OH2:10].O

OrbPairId : 2055, Prediction : 0.000000

Neg data

OPReactantPairId: 2024, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC([NH2:10])(O)O.CCC(N)(O)O.[OH3+]

OrbPairId : 2057, Prediction : 0.000000

Neg data

OPReactantPairId: 2024, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CCC([NH2:10])(O)O.CCC(N)(O)O.[OH3+]

OrbPairId : 3893, Prediction : 0.000000

Neg data

OPReactantPairId: 2756, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(CC(=O)C1=C(C=CC=C1)F)(C2=C(C=CC=C2)F)[O-:10].CC(CC(=O)C1=C(C=CC=C1)F)(C2=C(C=CC=C2)F)[O-].[OH3+]

OrbPairId : 2863, Prediction : 0.000000

Neg data

OPReactantPairId: 2333, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[CH:20]=[O:21].CC=O.CC#[C-:10].CC#[C-]

OrbPairId : 2396, Prediction : 0.000000

Neg data

OPReactantPairId: 1796, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](C)([OH2+:21])[OH:10].CCOC(C)([OH2+])O

OrbPairId : 1814, Prediction : 0.000000

Neg data

OPReactantPairId: 2263, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)N(C)C)CC1=CC=CC=C1.CC[O-:10].CC[O-].CN(C)C(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 3259, Prediction : 0.000000

Neg data

OPReactantPairId: 2937, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(C)CC[O-:10].CC(C)CC[O-].O

OrbPairId : 3069, Prediction : 0.000000

Neg data

OPReactantPairId: 2309, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(O)OC(=O)C.CC(=O)OC([OH2+])O.[OH2:10].O

OrbPairId : 2369, Prediction : 0.000000

Neg data

OPReactantPairId: 2309, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(O)OC(=O)C.CC(=O)OC([OH2+])O.[OH2:10].O

OrbPairId : 3755, Prediction : 0.000000

Neg data

OPReactantPairId: 3322, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][N+:21](=C(C)C)O.CC(=[NH+]O)C.[NH2:10]O.NO

OrbPairId : 3906, Prediction : 0.000000

Neg data

OPReactantPairId: 1821, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[OH:10].CO.C1=CC=C(C=C1)[C:20](=[OH+:21])N.C1=CC=C(C=C1)C(=[OH+])N

OrbPairId : 1840, Prediction : 0.000000

Neg data

OPReactantPairId: 3015, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH2:22][N+:23](C)(C)CC.CC[N+](C)(C)CC.[OH-:10].[OH-]

OrbPairId : 3149, Prediction : 0.000000

Neg data

OPReactantPairId: 1757, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH:5]=[C:6](C=C([C+:22]1N)Br)Br)Br.C1=C(C=C([C+](C1Br)N)Br)Br.[Br-:10].[Br-]

OrbPairId : 1771, Prediction : 0.000000

Neg data

OPReactantPairId: 3584, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]CC.CCO.CC(=O)CC[O-:10].CC(=O)CC[O-]

OrbPairId : 4200, Prediction : 0.000000

Neg data

OPReactantPairId: 2935, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(CBr)C(C)(C)C.CC(C)(C)C(CBr)[OH2+].[OH2:10].O

OrbPairId : 3066, Prediction : 0.000000

Neg data

OPReactantPairId: 2939, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH:21].CC(C)(C)CC[O-:10].CC(C)(C)CC[O-].O

OrbPairId : 3071, Prediction : 0.000000

Neg data

OPReactantPairId: 3423, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)CC(=O)CC1=CC=CC=C1.CC[O-:10].CC[O-].C1=CC=C(C=C1)CC(=O)CC(=O)O

OrbPairId : 4025, Prediction : 0.000000

Neg data

OPReactantPairId: 2141, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](=[C:22](C)[Br:23])C.CC=C(C)Br.[NH2-:10].[NH2-]

OrbPairId : 2181, Prediction : 0.000000

Neg data

OPReactantPairId: 2742, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC[O-:10].CC[O-].CCOCCC[CH2:20][Br:21].CCOCCCCBr

OrbPairId : 2848, Prediction : 0.000000

Neg data

OPReactantPairId: 2034, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C)[CH+:22]OC.CC[CH+]OC.[OH2:10].O

OrbPairId : 2067, Prediction : 0.000000
CC[CH+:20]OC.CC[CH+]OC.[OH2:10].O

OrbPairId : 2068, Prediction : 0.000000

Neg data

OPReactantPairId: 3421, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=CC(=C2)C(=O)C)C(C)C.CC(C)C1[CH+]C=CC2=C1C=CC(=C2)C(=O)C.[F-:10].[F-]

OrbPairId : 4020, Prediction : 0.000000

Neg data

OPReactantPairId: 2218, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2+:21][CH:20](C)[OH:10].CC[NH2+]C(C)O

OrbPairId : 3869, Prediction : 0.000000

Neg data

OPReactantPairId: 2218, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH2+:21][CH:20](C)[OH:10].CC[NH2+]C(C)O

OrbPairId : 2268, Prediction : 0.000000

Neg data

OPReactantPairId: 1759, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=C[C:13](=[C:12]([CH:11]=[CH:10]1)Br)N.C1=CC(=C(C=C1)Br)N.[Br:20][Br:21].BrBr

OrbPairId : 1773, Prediction : 0.000000

Neg data

OPReactantPairId: 2319, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C1=C(C=CC=C1)C(=O)NCCC)O.CCCNC(=O)C1=C(C=CC=C1)C(=[OH+])O.[OH2:10].O

OrbPairId : 3808, Prediction : 0.000000

Neg data

OPReactantPairId: 2319, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O+:21]=C(C1=C(C=CC=C1)C(=O)NCCC)O.CCCNC(=O)C1=C(C=CC=C1)C(=[OH+])O.[OH2:10].O

OrbPairId : 2379, Prediction : 0.000000

Neg data

OPReactantPairId: 1831, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C(C=O)[O:10][CH:20](CO)[OH2+:21].C(C=O)OC(CO)[OH2+]

OrbPairId : 1851, Prediction : 0.000000

Neg data

OPReactantPairId: 1743, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC2=C(C=C1)[CH:10]=[C:11](C=C2)Br.C1=CC2=C(C=C1)C=C(C=C2)Br.[Br:20][Br:21].BrBr

OrbPairId : 3588, Prediction : 0.000000

Neg data

OPReactantPairId: 1743, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C1=CC2=C(C=C1)[CH:10]=[C:11](C=C2)Br.C1=CC2=C(C=C1)C=C(C=C2)Br.[Br:20][Br:21].BrBr

OrbPairId : 1756, Prediction : 0.000000

Neg data

OPReactantPairId: 3356, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH+:21]C(C(CC1=CC=CC=C1)(C(=O)OCC)NC(=O)C)(O)OCC.CCOC(=O)C(CC1=CC=CC=C1)(C([OH2+])(O)OCC)NC(=O)C.[OH2:10].O

OrbPairId : 3944, Prediction : 0.000000

Neg data

OPReactantPairId: 1550, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.CC(C)(C)[C:13]1=[CH:12][CH:11]=[CH:10]C=C1.CC(C)(C)C1=CC=CC=C1

OrbPairId : 1546, Prediction : 0.000000

Neg data

OPReactantPairId: 1745, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC1(CCCC1)[CH:20]2C[Br+:21]2.CC1(CCCC1)C2C[Br+]2.[Br-:10].[Br-]

OrbPairId : 1758, Prediction : 0.000000

Neg data

OPReactantPairId: 1749, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCN[C:22](=[OH+:23])[CH:21]=[CH2:20].CCNC(=[OH+])C=C.CC[OH:10].CCO

OrbPairId : 1762, Prediction : 0.000000

Neg data

OPReactantPairId: 2161, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C[O-])[CH2:22][Br:23].C(C[O-])CBr.[NH2-:10].[NH2-]

OrbPairId : 2204, Prediction : 0.000000

Neg data

OPReactantPairId: 3431, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(C=C[C+:24]([CH:23]=[CH:22]1)OCC=C)C(CC)OC2=CC=CC=C2.CCC(C1C=C[C+](C=C1)OCC=C)OC2=CC=CC=C2.[F-:10].[F-]

OrbPairId : 4034, Prediction : 0.000000

Neg data

OPReactantPairId: 2411, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)(C1=CC=CC=C1)[CH:22](C)[Br:23].CC(C1=CC=CC=C1)C(C)Br.CC(C)(C)[O-:10].CC(C)(C)[O-]

OrbPairId : 2485, Prediction : 0.000000

Neg data

OPReactantPairId: 1769, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=CC(=C2)C(=O)C)Br.CC(=O)C1=CC2=C(C=C1)C([CH+]C=C2)Br.[Br-:10].[Br-]

OrbPairId : 1786, Prediction : 0.000000

Neg data

OPReactantPairId: 2424, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[N-:10]C.C[N-]C.[OH3+]

OrbPairId : 2498, Prediction : 0.000000

Neg data

OPReactantPairId: 1982, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].C[CH:10]=[CH:11][N:12](C)C.CC=CN(C)C.[OH3+]

OrbPairId : 2011, Prediction : 0.000000

Neg data

OPReactantPairId: 3433, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])C)[N+](=O)[O-].CC[O-:10].CC[O-].CC(=O)C[N+](=O)[O-]

OrbPairId : 4035, Prediction : 0.000000

Neg data

OPReactantPairId: 3210, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC=CC[O-:10].CC=CC[O-].CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C

OrbPairId : 3596, Prediction : 0.000000

Neg data

OPReactantPairId: 2426, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[Li:11][C:10]1=CC=CC=C1.[Li]C1=CC=CC=C1.C1=CC=C(C=C1)[C:20](=[O:21])CC#N.C1=CC=C(C=C1)C(=O)CC#N

OrbPairId : 2500, Prediction : 0.000000

Neg data

OPReactantPairId: 1636, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC[C+:20](C)C.CC[C+](C)C.[CH:11]1=[CH:10]C=CC=C1.C1=CC=CC=C1

OrbPairId : 3942, Prediction : 0.000000

Neg data

OPReactantPairId: 3212, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C.[C-:10]#CCO.[C-]#CCO

OrbPairId : 3598, Prediction : 0.000000

Neg data

OPReactantPairId: 1980, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC=C[CH2+:20].CC=C[CH2+].[OH2:10].O

OrbPairId : 2009, Prediction : 0.000000

Neg data

OPReactantPairId: 1986, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[CH:20]([NH+:21](C)C)[OH:10].CCC([NH+](C)C)O

OrbPairId : 2015, Prediction : 0.000000

Neg data

OPReactantPairId: 3214, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC=N[OH:10].CC=NO.CC(=O)O[C:20](=[O:21])C.CC(=O)OC(=O)C

OrbPairId : 3600, Prediction : 0.000000

Neg data

OPReactantPairId: 1859, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.C1=CC=C(C=C1)[OH:10].C1=CC=C(C=C1)O

OrbPairId : 1881, Prediction : 0.000000

Neg data

OPReactantPairId: 1859, ReactionConditionsId: 2

NumPos: 2, numNeg: 0, Link

Pos data
C[CH+:20]C.C[CH+]C.[CH:10]1=[CH:11][CH:12]=[C:13](C=C1)O.C1=CC=C(C=C1)O

OrbPairId : 3789, Prediction : 0.000000
C[CH+:20]C.C[CH+]C.C1=C[CH:10]=[C:11](C=C1)O.C1=CC=C(C=C1)O

OrbPairId : 3791, Prediction : 0.000000

Neg data

OPReactantPairId: 1767, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1([CH+:22]C=C[C:6]2=[C:5]1C=C(C=C2)C(=O)C)Br.CC(=O)C1=CC2=C(C=C[CH+]C2Br)C=C1.[Br-:10].[Br-]

OrbPairId : 1782, Prediction : 0.000000

Neg data

OPReactantPairId: 2610, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)C)CC1=CC=CC=C1.CC[O-:10].CC[O-].CC(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 2704, Prediction : 0.000000

Neg data

OPReactantPairId: 3685, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C)(CC)C#N.CCC(C)C#N.[OH-:10].[OH-]

OrbPairId : 4315, Prediction : 0.000000

Neg data

OPReactantPairId: 1650, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[OH:10].CCO.CC(=O)O[C:20](=[OH+:21])CCC=O.CC(=O)OC(=[OH+])CCC=O

OrbPairId : 1652, Prediction : 0.000000

Neg data

OPReactantPairId: 2610, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21][C:1](=[CH:3]C(=O)C)CC1=CC=CC=C1.CC[O-:10].CC[O-].CC(=O)C=C(CC1=CC=CC=C1)O

OrbPairId : 3433, Prediction : 0.000000

Neg data

OPReactantPairId: 1640, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21][CH:22]=[N+:23](CC)CC.CC[NH:10]CC.CCNCC.CC[N+](=CC)CC

OrbPairId : 1641, Prediction : 0.000000

Neg data

OPReactantPairId: 2434, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])C1=C(C=CC=C1)Cl)C(C)(C2=C(C=CC=C2)Cl)O.CC[O-:10].CC[O-].CC(CC(=O)C1=C(C=CC=C1)Cl)(C2=C(C=CC=C2)Cl)O

OrbPairId : 2508, Prediction : 0.000000

Neg data

OPReactantPairId: 2899, ReactionConditionsId: 7

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH2:21]C1=NC=CC=C1.CC1=NC=CC=C1.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C

OrbPairId : 3025, Prediction : 0.000000

Neg data

OPReactantPairId: 1642, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20](CC#N)([NH2+:21]C)[OH:10].CCOC(CC#N)([NH2+]C)O

OrbPairId : 1643, Prediction : 0.000000

Neg data

OPReactantPairId: 2450, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][O:21]C(=O)C.CC(=O)O.[NH3:10].N

OrbPairId : 2526, Prediction : 0.000000

Neg data

OPReactantPairId: 2432, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20]1(CCCO1)[O-:10].CC(=O)OC1(CCCO1)[O-]

OrbPairId : 3563, Prediction : 0.000000

Neg data

OPReactantPairId: 2432, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)[O:21][C:20]1(CCCO1)[O-:10].CC(=O)OC1(CCCO1)[O-]

OrbPairId : 2506, Prediction : 0.000000

Neg data

OPReactantPairId: 1644, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH:10]CC.CCNCC.CCN[C:20](=[OH+:21])C.CCNC(=[OH+])C

OrbPairId : 1645, Prediction : 0.000000

Neg data

OPReactantPairId: 2430, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[C:20](=[O:21])CCC[O-:10].CC(=O)OC(=O)CCC[O-]

OrbPairId : 3561, Prediction : 0.000000

Neg data

OPReactantPairId: 3437, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCCC1=O)[C:22](=[O:23])OCC.CC[O-:10].CC[O-].CCOC(=O)C1CCCC1=O

OrbPairId : 4040, Prediction : 0.000000

Neg data

OPReactantPairId: 2419, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][OH2+:21].CC(=O)CC(NC)[OH:10].CC(=O)CC(NC)O.[OH3+]

OrbPairId : 2493, Prediction : 0.000000

Neg data

OPReactantPairId: 2430, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[C:20](=[O:21])CCC[O-:10].CC(=O)OC(=O)CCC[O-]

OrbPairId : 2504, Prediction : 0.000000

Neg data

OPReactantPairId: 3695, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C1=CC=CC=C1)([C:22](=[O:23])C(C)C)C(CC2=CC=CC=C2)(C(C)C)O.CC(C)C(=O)C(C1=CC=CC=C1)C(CC2=CC=CC=C2)(C(C)C)O.[OH-:10].[OH-]

OrbPairId : 4326, Prediction : 0.000000

Neg data

OPReactantPairId: 2143, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21]#CC.CC#C.[NH2-:10].[NH2-]

OrbPairId : 2183, Prediction : 0.000000

Neg data

OPReactantPairId: 2301, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCNC(=CCC[C:20](C)([NH+:21]1CCCC1)[OH:10])[O-].CCNC(=CCCC(C)([NH+]1CCCC1)O)[O-]

OrbPairId : 2360, Prediction : 0.000000

Neg data

OPReactantPairId: 2415, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
C[C:22](=[O:23])[CH:21]=[CH2:20].CC(=O)C=C.[C-:10]#N.[C-]#N

OrbPairId : 3321, Prediction : 0.000000

Neg data

OPReactantPairId: 1664, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC[NH+:21](CC)[CH:20](C)[NH:10]C.CC[NH+](CC)C(C)NC

OrbPairId : 1669, Prediction : 0.000000

Neg data

OPReactantPairId: 2415, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
C[C:22](=[O:23])[CH:21]=[CH2:20].CC(=O)C=C.[C-:10]#N.[C-]#N

OrbPairId : 2487, Prediction : 0.000000

Neg data

OPReactantPairId: 2887, ReactionConditionsId: 7

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])N(C)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CN(C)C(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3010, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)N(C)C.CC(C)[N-:10]C(C)C.CC(C)[N-]C(C)C.CN(C)C(=O)CC(=O)CC1=CC=CC=C1

OrbPairId : 3013, Prediction : 0.000000

Neg data

OPReactantPairId: 1652, ReactionConditionsId: 1

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][C:21]1(CCCC[C+:22]1C)C.CC[OH:10].CCO.CC1CCCC[C+]1C

OrbPairId : 1654, Prediction : 0.000000
CC[OH:10].CCO.CC1CCCC[C+:20]1C.CC1CCCC[C+]1C

OrbPairId : 1655, Prediction : 0.000000

Neg data

OPReactantPairId: 2303, ReactionConditionsId: 2

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[CH:20]=[OH+:21].CC(=O)OC=[OH+].[OH2:10].O

OrbPairId : 3745, Prediction : 0.000000

Neg data

OPReactantPairId: 2303, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
CC(=O)O[CH:20]=[OH+:21].CC(=O)OC=[OH+].[OH2:10].O

OrbPairId : 2363, Prediction : 0.000000

Neg data

OPReactantPairId: 2417, ReactionConditionsId: 3

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21](C(=O)C)[C:22](=[O:23])OCC.CCO[C:11](=[CH2:10])[O-:12].CCOC(=C)[O-].CCOC(=O)CC(=O)C

OrbPairId : 2490, Prediction : 0.000000
[H:20][CH:21]([C:22](=[O:23])C)C(=O)OCC.CCO[C:11](=[CH2:10])[O-:12].CCOC(=C)[O-].CCOC(=O)CC(=O)C

OrbPairId : 2494, Prediction : 0.000000

Neg data

OPReactantPairId: 2885, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](CCCC[O-])[CH:22]=[O:23].C(CCC=O)CC[O-].[OH-:10].[OH-]

OrbPairId : 3008, Prediction : 0.000000

Neg data

OPReactantPairId: 3689, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21](C1=CC=CC=C1)[C:22](=[O:23])C(C)C.CC(C)C(=O)CC1=CC=CC=C1.[OH-:10].[OH-]

OrbPairId : 4321, Prediction : 0.000000

Neg data

OPReactantPairId: 2147, ReactionConditionsId: 6

NumPos: 2, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])CC1=CC=CC=C1)C(=O)Cl.C1=CC=C(C=C1)CC(=O)CC(=O)Cl.[NH2-:10].[NH2-]

OrbPairId : 2188, Prediction : 0.000000
[H:20][CH:21](C(=O)CC1=CC=CC=C1)[C:22](=[O:23])Cl.C1=CC=C(C=C1)CC(=O)CC(=O)Cl.[NH2-:10].[NH2-]

OrbPairId : 2189, Prediction : 0.000000

Neg data

OPReactantPairId: 2409, ReactionConditionsId: 3

NumPos: 1, numNeg: 0, Link

Pos data
CCO[C:20]1(C=CC=C[C-:10]1[N+](=O)[O-])[Cl:21].CCOC1(C=CC=C[C-]1[N+](=O)[O-])Cl

OrbPairId : 2482, Prediction : 0.000000

Neg data

OPReactantPairId: 2163, ReactionConditionsId: 6

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]1CC=CC([CH:22]1[Br:23])C.CC1C=CCCC1Br.[NH2-:10].[NH2-]

OrbPairId : 2206, Prediction : 0.000000

Neg data

OPReactantPairId: 3687, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][CH:21]([C:22](=[O:23])C)[N+](=O)[O-].CC(=O)C[N+](=O)[O-].[OH-:10].[OH-]

OrbPairId : 4317, Prediction : 0.000000

Neg data

OPReactantPairId: 2616, ReactionConditionsId: 1

NumPos: 1, numNeg: 0, Link

Pos data
[H:20][C:21](C=C)([C:22](=[O:23])C)C(C)(C=CC)O.CC[O-:10].CC[O-].CC=CC(C)(C(C=C)C(=O)C)O

OrbPairId : 3334, Prediction : 0.000000

Neg data

OPReactantPairId: 2883, ReactionConditionsId: 8

NumPos: 1, numNeg: 0, Link

Pos data
CC[C:20](C)([OH2+:21])[OH:10].CCC(C)([OH2+])O

OrbPairId : 3006, Prediction : 0.000000

Neg data