smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[F:1][C:2]1[C:3](F)=[C:4]2[O:9][CH2:8][CH:7]([CH3:10])[N:6]3[CH:11]=[C:12]([C:17]([O:19][CH2:20][CH3:21])=[O:18])[C:13](=[O:16])[C:14]([CH:15]=1)=[C:5]23.[C:23]([O:27][C:28]([N:30]1[CH2:34][CH2:33][CH:32]([OH:35])[CH2:31]1)=[O:29])([CH3:26])([CH3:25])[CH3:24].C1CCN2C(=NCCC2)CC1.[H-].[Na+]>C(Cl)(Cl)Cl.CS(C)=O>[C:23]([O:... | 1 |
C(N(CC)CC)C.[CH2:8]([NH:15][C@H:16]1[CH2:21][CH2:20][CH2:19][CH2:18][C@H:17]1[OH:22])[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.[Cl:23][CH2:24][C:25](Cl)=[O:26]>ClCCl>[CH2:8]([N:15]([C@@H:16]1[CH2:21][CH2:20][CH2:19][CH2:18][C@@H:17]1[OH:22])[C:25](=[O:26])[CH2:24][Cl:23])[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=... | 2 |
C(C)(=O)OC(C)=O.CC1=CC=CC=2C(COC21)O>>CC1=CC=CC=2CCOC21 | 5 |
C([N:3]([CH2:6]C)[CH2:4][CH3:5])C.[OH:8][C:9]1[CH:25]=[CH:24][C:12]([C:13]([C:15]2[CH:20]=[CH:19][C:18]([N:21]([CH3:23])[CH3:22])=[CH:17][CH:16]=2)=[O:14])=[CH:11][CH:10]=1.[C:26](OCCN=C=O)(=[O:30])[C:27]([CH3:29])=[CH2:28].[O:37]1CCCC1>C1(C)C=CC=CC=1>[CH3:22][N:21]([CH3:23])[C:18]1[CH:19]=[CH:20][C:15]([C:13](=[O:14])... | 1 |
C(=O)=O.ClC=1C=NC=C(C1)F>C1CCCO1.C(CCC)[Li]>ClC=1C=NC=C(C1C(=O)O)F | 3 |
[C:1]([O:5][C:6](=[O:25])[NH:7][C:8]1[CH2:9][O:10][CH2:11][C:12]([C:17]2[CH:22]=[C:21](Br)[CH:20]=[CH:19][C:18]=2[F:24])([CH:14]([F:16])[F:15])[N:13]=1)([CH3:4])([CH3:3])[CH3:2].CN[C@@H]1CCCC[C@H]1NC.[N-:36]=[N+:37]=[N-:38].[Na+].O=C1O[C@H]([C@H](CO)O)C([O-])=C1O.[Na+]>CCO.O.CC(OC)(C)C.[Cu]I>[C:1]([O:5][C:6](=[O:25])[N... | 1 |
O1N=C(C=C1)C=O.N1(CCCC1)C1COCC2NCCN(C21)C(CC2=CC(=C(C=C2)Cl)Cl)=O>CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>ClC=1C=C(C=CC1Cl)CC(=O)N1C2C(N(CC1)CC1=NOC=C1)COCC2N2CCCC2 | 3 |
[NH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[NH:9][C:10]2[C:15]([CH:16]=1)=[CH:14][CH:13]=[CH:12][CH:11]=2.CN(C1C=CC=CN=1)C.[C:26]1(=[O:36])[O:31][C:29](=[O:30])[C:28]2=[CH:32][CH:33]=[CH:34][CH:35]=[C:27]12>ClCCl>[NH:9]1[C:10]2[C:15](=[CH:14][CH:13]=[CH:12][CH:11]=2)[CH:16]=[C:8]1[C:3]1[CH:4]=[CH:5][CH:6]=[CH:... | 1 |
ClC=1C=C(C(=O)Cl)C=CC1.NC1=C2C(N(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O)=O>C1CCCO1.C(C)OCC>ClC=1C=C(C(=O)NC2=C3C(N(C(C3=CC=C2)=O)C2C(NC(CC2)=O)=O)=O)C=CC1 | 3 |
C1(CCCC1)N1C(NCC=2C1=NC(=NC2)NC2=CC=C(C=C2)N2CCN(CC2)C)=O>CC(C)(C)[O-].[K+].C1CCCO1>C1(CCCC1)N1C(N=CC=2C1=NC(=NC2)NC2=CC=C(C=C2)N2CCN(CC2)C)=O | 3 |
OC1=CC=C(C(=O)O)C=C1>>IC=1C=C(C(=O)O)C=CC1O | 5 |
[C:1]1([CH:7]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[CH2:8][CH2:9][NH2:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH:17](=O)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.C([BH3-])#N.[Na+].[BH4-].[Na+]>CC#N.C1COCC1.C(O)(=O)C>[CH2:17]([NH:10][CH2:9][CH2:8][CH:7]([C:1]1[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1)[C:11]1[CH:... | 1 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[C:9]1[N:14]=[CH:13][N:12]=[C:11]([NH:15][C:16]([CH:18]2[CH2:23][CH2:22][CH2:21][NH:20][CH2:19]2)=[O:17])[CH:10]=1.C(N(CC)CC)C.[CH3:31][S:32](Cl)(=[O:34])=[O:33]>ClCCl>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[C:9]1[N:14]=[CH:13][N:12]=[C:11]([NH:15][C:16]([C... | 1 |
CC(=CC)C.P([O-])(O)(O)=O.[Na+].Cl([O-])=[O:13].[Na+].[N:16]1[C:25]2[C:20](=[CH:21][C:22]([CH2:26][CH2:27][CH:28]=[O:29])=[CH:23][CH:24]=2)[CH:19]=[CH:18][CH:17]=1>C(O)(C)(C)C.O>[N:16]1[C:25]2[C:20](=[CH:21][C:22]([CH2:26][CH2:27][C:28]([OH:13])=[O:29])=[CH:23][CH:24]=2)[CH:19]=[CH:18][CH:17]=1 | 2 |
C([O:3][C:4](=[O:20])[C@H:5]([CH3:19])[N:6]([C:11]1[CH:16]=[CH:15][C:14]([S:17][CH3:18])=[CH:13][CH:12]=1)[CH2:7][CH2:8][CH2:9][CH3:10])C.[OH-].[Na+:22]>CO.O>[Na+:22].[CH3:18][S:17][C:14]1[CH:13]=[CH:12][C:11]([N:6]([CH2:7][CH2:8][CH2:9][CH3:10])[C@H:5]([C:4]([O-:20])=[O:3])[CH3:19])=[CH:16][CH:15]=1 | 1 |
[NH2:1][C:2]1[CH:17]=[CH:16][C:5]([O:6][C:7]2[CH:8]=[CH:9][C:10]3[S:14][N:13]=[CH:12][C:11]=3[CH:15]=2)=[CH:4][CH:3]=1.C1(C)C=CC=CC=1.[CH3:25][N:26]=[C:27]=[O:28]>C(N(CC)CC)C>[CH3:25][NH:26][C:27]([NH:1][C:2]1[CH:17]=[CH:16][C:5]([O:6][C:7]2[CH:8]=[CH:9][C:10]3[S:14][N:13]=[CH:12][C:11]=3[CH:15]=2)=[CH:4][CH:3]=1)=[O:2... | 1 |
F[P-](F)(F)(F)(F)F.CN(C)[PH+](N(C)C)N(C)C.NC1=C(C(=NN1[C@H]1CNCCC1)C1=CC=C(C=C1)OC1=C(C=C(C=C1)F)F)C(=O)N.C(#N)/C=C/C(=O)O>>NC1=C(C(=NN1[C@H]1CN(CCC1)C(\C=C\C#N)=O)C1=CC=C(C=C1)OC1=C(C=C(C=C1)F)F)C(=O)N | 5 |
[Br:1][C:2]1[S:3][CH:4]=[C:5]([C:7]([O:9]CC)=[O:8])[N:6]=1.Cl>C(O)C.O>[Br:1][C:2]1[S:3][CH:4]=[C:5]([C:7]([OH:9])=[O:8])[N:6]=1 | 2 |
Cl.FC(CN)(F)F.C(C)(C)(C)OC(=O)N[C@@H](C(=O)O)C>ClCCl.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C(C)(C)(C)OC(=O)N[C@H](C)C(=O)NCC(F)(F)F | 3 |
[SiH4].[CH2:2]([O:4][SiH](OCC)OCC)[CH3:3].[CH2:12]([O:14][Si:15]([O:31][CH2:32][CH3:33])([O:28][CH2:29][CH3:30])[CH2:16][CH2:17][Si:18]([O:25][CH2:26][CH3:27])([O:22][CH2:23][CH3:24])[O:19][CH2:20][CH3:21])[CH3:13]>>[CH:16]([Si:15]([O:28][CH2:29][CH3:30])([O:14][CH2:12][CH3:13])[O:31][CH2:32][CH3:33])=[CH2:17].[CH2:2](... | 1 |
[C:1]([Si:5](Cl)([CH3:7])[CH3:6])([CH3:4])([CH3:3])[CH3:2].N1C=CN=C1.[C:14]([O:18][C:19]([N:21]1[CH2:26][CH2:25][NH:24][CH2:23][C@@H:22]1[CH2:27][CH2:28][OH:29])=[O:20])([CH3:17])([CH3:16])[CH3:15]>C(Cl)Cl>[C:14]([O:18][C:19]([N:21]1[CH2:26][CH2:25][NH:24][CH2:23][C@@H:22]1[CH2:27][CH2:28][O:29][Si:5]([C:1]([CH3:4])([C... | 1 |
C(=O)([O-])[O-].[Cs+].[Cs+].N1C=CC=CC=1C(O)=O.I[C:17]1[CH:18]=[C:19]([CH3:24])[CH:20]=[C:21]([I:23])[CH:22]=1.[C:25]([O:35][C:36]([CH3:39])([CH3:38])[CH3:37])(=[O:34])[CH2:26][C:27]([O:29][C:30]([CH3:33])([CH3:32])[CH3:31])=[O:28]>O1CCOCC1.[Cu](I)I>[I:23][C:21]1[CH:22]=[C:17]([CH:26]([C:27]([O:29][C:30]([CH3:33])([CH3:... | 1 |
C12CN(CC(CC1)O2)C2=NC(=NC(=N2)C2=CC=C(C=C2)NC(=O)NC2=CC=NC=C2)N2CCC(CC2)NCC(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>C12CN(CC(CC1)O2)C2=NC(=NC(=N2)C2=CC=C(C=C2)NC(=O)NC2=CC=NC=C2)N2CCC(CC2)NCC(=O)O | 3 |
N1(CCOCC1)C=1N=C(C2=C(N1)N(C(=C2)C=2C=C(C=CC2)O)COCC[Si](C)(C)C)N2CCOCC2>>N1(CCOCC1)C=1N=C(C2=C(N1)NC(=C2)C=2C=C(C=CC2)O)N2CCOCC2 | 5 |
[CH3:1][O:2][C:3]([C:5]1[C:10]([NH2:11])=[N:9][CH:8]=[C:7](Br)[N:6]=1)=[O:4].[CH:13]1(P(C2CCCCC2)C2C=CC=CC=2C2C(OC)=CC=CC=2OC)CCCCC1.CB(O)O.P([O-])([O-])([O-])=O.[K+].[K+].[K+]>O.Cl.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C1(C)C=CC=CC=1>[CH3:1][O:2][C:3]([C:5]1[C:10]([NH2:11])=[N:9][CH:8]=[C:7]([CH3:13])[N:6]=1)=[O:4] | 1 |
ClC=1C(=C(C(=C(C1)C(C)Cl)OC)C1CN(C1)C(=O)OC(C)(C)C)F.CC1=NNC2=NC=NC(=C21)N>>NC1=C2C(=NC=N1)N(N=C2C)C(C)C=2C(=C(C(=C(C2)Cl)F)C2CN(C2)C(=O)OC(C)(C)C)OC | 5 |
FC1=C(C=C(C=C1)N1C(=CC2=C1C=C1C=NN(C1=C2)C(C(C)(C)C)=O)C(C)C)OC>ClCCl.IN1C(CCC1=O)=O>FC1=C(C=C(C=C1)N1C(=C(C2=C1C=C1C=NN(C1=C2)C(C(C)(C)C)=O)I)C(C)C)OC | 3 |
BrCC(=O)OCC.OC=1C=C(CO)C=CC1>C([O-])([O-])=O.[K+].[K+].CC(=O)C>OCC=1C=C(OCC(=O)OCC)C=CC1 | 3 |
[N:1]([O-:3])=[O:2].[Na+].S(=O)(=O)(O)O.N[C:11]1[NH:15][N:14]=[C:13]([N+:16]([O-:18])=[O:17])[C:12]=1[N+:19]([O-:21])=[O:20]>>[N+:1]([C:11]1[C:12]([N+:19]([O-:21])=[O:20])=[C:13]([N+:16]([O-:18])=[O:17])[NH:14][N:15]=1)([O-:3])=[O:2] | 1 |
CC(C(C[N+](=O)[O-])O)(C)C>CO[H].[HH].[Pd]>NCC(C(C)(C)C)O | 3 |
C(C1=CC=CC=C1)Br.ClC1=C(C=C(C=C1)[C@@]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[Si](C)(C)C)OC)CC1=C(C(=C(C=C1)OC)F)F>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)O[C@@H]1[C@H](O[C@@]([C@@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)(OC)C1=CC(=C(C=C1)Cl)CC1=C(C(=C(C=C1)OC)F)F)CO[Si](C)(C)C | 3 |
N[C@H]1CC[C@H](CC1)N1C(N(C2=C(C1=O)C=C(C=N2)F)C=2C=C(C=CC2)C2=C(C=C(C=C2)O)CN2CCOCC2)=O.CC1=CC=CC=2N1C=C(N2)C=O>ClCCl.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>FC1=CC2=C(N(C(N(C2=O)[C@@H]2CC[C@@H](CC2)NCC=2N=C3N(C(=CC=C3)C)C2)=O)C=2C=C(C=CC2)C2=C(C=C(C=C2)O)CN2CCOCC2)N=C1 | 3 |
ClC1=C2C(=NC=C1C=1C=C(C=NC1)C(C(=O)N(C)C)=O)N(C=C2C2=C(C=CC=C2)OC)COCC[Si](C)(C)C>>ClC1=C2C(=NC=C1C=1C=C(C=NC1)C(C(=O)N(C)C)O)N(C=C2C2=C(C=CC=C2)OC)COCC[Si](C)(C)C | 5 |
[Cl:1][CH2:2][C:3]([N:5]=[C:6]=[O:7])=[O:4].[OH:8][C:9]1[N:13]=[C:12]([O:14][CH2:15][CH3:16])[S:11][N:10]=1>C1C=CC=CC=1>[Cl:1][CH2:2][C:3]([NH:5][C:6]([N:10]1[C:9](=[O:8])[N:13]=[C:12]([O:14][CH2:15][CH3:16])[S:11]1)=[O:7])=[O:4] | 1 |
ClC1=C(C=NC=C1F)C=O>O.NN.COCCOC>FC=1C2=C(C=NC1)C=NN2 | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Cl:8])[C:3]=1[NH:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[CH2:16][C:17]([O-:19])=[O:18].[Na+].[NH2:21][C:22]1[C:39]([CH2:40][N:41]([CH:44]2[CH2:49][CH2:48][CH2:47][CH2:46][CH2:45]2)[CH2:42][CH3:43])=[CH:38][C:25]([C:26]([O:28][CH2:29][CH2:30][N:31]([CH:35]([CH3:37])[CH3:36]... | 1 |
[F:1][C:2]1[CH:3]=[C:4]([N+:17]([O-])=O)[CH:5]=[CH:6][C:7]=1[O:8][CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[C:12]([F:16])[CH:11]=1>C(OCC)(=O)C.[Pt]>[F:1][C:2]1[CH:3]=[C:4]([NH2:17])[CH:5]=[CH:6][C:7]=1[O:8][CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[C:12]([F:16])[CH:11]=1 | 1 |
BrC1=CC(=C(C=C1)CO)C>ClCCl.[O-2].[O-2].[Mn+4]>BrC1=CC(=C(C=O)C=C1)C | 3 |
C[O:2][C:3](=[O:18])[C:4]1[C:9]([NH:10][CH:11]([CH2:14][CH3:15])[CH2:12][CH3:13])=[CH:8][C:7]([CH3:16])=[N:6][C:5]=1[Cl:17].O[Li].O>O.O1CCOCC1>[Cl:17][C:5]1[N:6]=[C:7]([CH3:16])[CH:8]=[C:9]([NH:10][CH:11]([CH2:14][CH3:15])[CH2:12][CH3:13])[C:4]=1[C:3]([OH:18])=[O:2] | 1 |
BrC=1C=C2C(=NN(C2=CC1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=NC=C1>>N1=CC=C(C=C1)C=1NN(C2=CC=C(CC12)B1OC(C(O1)(C)C)(C)C)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 | 5 |
[C@@H]1(OCCC2=CC=CC=C12)C1CN(C1)C(=O)OC(C)(C)C>O.ClCCl.C(=O)(C(F)(F)F)O.N>[C@@H]1(OCCC2=CC=CC=C12)C1CNC1 | 3 |
NC=1C=C2COC(=O)C2=CC1>>CN(C=1C=C2COC(C2=CC1)=O)C | 5 |
FC=1C=CC(=C(C(=O)OC)C1)OC>O.CO[H].[OH-].[K+]>FC=1C=CC(=C(C(=O)O)C1)OC | 3 |
[NH2:1][C@@H:2]([C:6]1[CH:11]=[CH:10][C:9]([F:12])=[CH:8][CH:7]=1)[C:3]([OH:5])=[O:4].[CH:13](=O)[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.[OH-].[Na+:22]>[Pd]>[Na+:22].[F:12][C:9]1[CH:10]=[CH:11][C:6]([C@H:2]([NH:1][CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C:3]([O-:5])=[O:4])=[CH:7][CH:8]=1 | 1 |
[Si](Cl)(Cl)(Cl)Cl.COC(C1=CC(=CC(=C1)NC(C(C)C)=O)C1=NC=C(C=C1)Cl)=O>CC#N.[N-]=[N+]=[N-].[Na+]>COC(C1=CC(=CC(=C1)N1N=NN=C1C(C)C)C1=NC=C(C=C1)Cl)=O | 3 |
ClC1=NC=CC(=C1)C(CBr)=O.C1(CC1)N1C(CC(CC1)=O)=O>O.CCO[H].C(C)(=O)[O-].[NH4+]>ClC1=NC=CC(=C1)C1=CC=2C(N(CCC2N1)C1CC1)=O | 3 |
BrC=1C=C(C=C2C=CC(=NC12)CO)F.S(=O)(=O)([O-])[O-].[NH+]1=CC=CC=C1.[NH+]1=CC=CC=C1>ClCCl.CCN(CC)CC.CS(=O)C>BrC=1C=C(C=C2C=CC(=NC12)C=O)F | 3 |
[F:1][C:2]([C:5]1[O:9][C:8]([CH2:10][N:11]2[N:15]=[C:14]([NH2:16])[CH:13]=[N:12]2)=[CH:7][CH:6]=1)([F:4])[CH3:3].[C:17]1([CH3:31])[CH:22]=[CH:21][CH:20]=[C:19]([C:23]2[O:27][CH:26]=[N:25][C:24]=2[C:28](O)=[O:29])[CH:18]=1>>[F:4][C:2]([C:5]1[O:9][C:8]([CH2:10][N:11]2[N:15]=[C:14]([NH:16][C:28]([C:24]3[N:25]=[CH:26][O:27... | 1 |
ClC1=C(C(=CC=C1)F)C>S(O)(O)(=O)=O.[N+](=O)(O)[O-]>ClC1=C(C=CC(=C1C)F)[N+](=O)[O-] | 3 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C1=CC=C(C=N1)C=1C=C(C=2C(=CN(C2C1)C(C)CC)C)C(=O)O.C(C)N1N=C(C(=C1C)CN)OC>>C(C)(CC)N1C=C(C2=C(C=C(C=C12)C=1C=CC(=NC1)N1CCN(CC1)C(=O)OC(C)(C)C)C(NCC=1C(=NN(C1C)CC)OC)=O)C | 5 |
ClCC(=O)C1(CC1)Cl.C(N)(=S)C=1C=NN2C1NC(C=C2C2CCN(CC2)C(=O)OC(C)(C)C)=O>CCO[H].C(C)(C)N(C(C)C)CC.[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>ClC1(CC1)C=1N=C(SC1)C=1C=NN2C1NC(C=C2C2CCN(CC2)C(=O)OC(C)(C)C)=O | 3 |
Br[C:2]1[O:6][C:5]([CH:7]=[C:8]2[C:16]3[C:11](=[CH:12][CH:13]=[C:14]([Cl:17])[CH:15]=3)[NH:10][C:9]2=[O:18])=[CH:4][CH:3]=1.[F:19][C:20]1[CH:25]=[C:24]([C:26]([O:28][CH3:29])=[O:27])[CH:23]=[CH:22][C:21]=1B(O)O.C([O-])([O-])=O.[Cs+].[Cs+].O>O1CCOCC1.O.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=... | 2 |
C(=O)C1=CNC2=CC=CC=C12.COC=1C=C(C2=C(C(CO2)=O)C1)CN1CCN(CC1)C(=O)OC(C)(C)C>CO[H].N1CCCCC1>N1C=C(C2=CC=CC=C12)\C=C\1/OC2=C(C1=O)C=C(C=C2CN2CCN(CC2)C(=O)OC(C)(C)C)OC | 3 |
C(C1=CC=CC=C1)OC(=O)N[C@@H]1C[C@@H](CN(C1)C(=O)OC(C)(C)C)C(=O)OC>C(C)(=O)OCC.[Pd]C>N[C@@H]1C[C@@H](CN(C1)C(=O)OC(C)(C)C)C(=O)OC | 3 |
CC(C)(C)[Si](OC[C@H]1NC[C@H]2COCCN2C1)(C)C.FC(C=1C=C(C=C(C1)C(F)(F)F)C(C(=O)N(C)C=1C=NC(=CC1C=1C=NC=CC1C)Cl)(C)C)(F)F>C1(=CC=CC=C1)C.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.CC(C)(C)[O-].[Na+].C1(CCCCC1)P(C1=C(C=CC=C1)C1=C(C=CC=C1)N(C)C)C1CCCCC1>FC(C=1C=C... | 3 |
C(C1=CC=CC=C1)OC(=O)N1CCC(CC1)CC1=NC(=C2N1C=CN=C2N)C2=CC=C1C=CC(=NC1=C2)C2=CC=CC=C2>Cl>C1(=CC=CC=C1)C1=NC2=CC(=CC=C2C=C1)C=1N=C(N2C1C(=NC=C2)N)CC2CCNCC2 | 3 |
OCC(=O)C1=CC=CC=C1>ClCCl.C(C)(C)N(C(C)C)CC>COCOCC(=O)C1=CC=CC=C1 | 3 |
[OH:1][CH2:2][C:3]1[CH:8]=[C:7]([O:9][CH:10]([CH3:12])[CH3:11])[C:6]([O:13][CH3:14])=[CH:5][N:4]=1.[Mn]([O-])(=O)(=O)=[O:16].[K+].[OH-].[K+]>O.C(O)(C)C>[CH:10]([O:9][C:7]1[C:6]([O:13][CH3:14])=[CH:5][N:4]=[C:3]([C:2]([OH:16])=[O:1])[CH:8]=1)([CH3:11])[CH3:12] | 1 |
Br[C:2]1[CH:3]=[C:4]([C:9]2[N:13]([C:14]3[CH:19]=[CH:18][C:17]([CH3:20])=[C:16]([F:21])[C:15]=3[F:22])[N:12]=[N:11][N:10]=2)[C:5]([NH2:8])=[N:6][CH:7]=1.CC1(C)C(C)(C)OB([C:31]2[CH:32]=[N:33][N:34]([CH:36]3[CH2:41][CH2:40][N:39]([C:42]([O:44][C:45]([CH3:48])([CH3:47])[CH3:46])=[O:43])[CH2:38][CH2:37]3)[CH:35]=2)O1.C(=O)... | 1 |
C(OC([N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]2[O:16][C:17]([C:20]3[CH:25]=[CH:24][C:23]([F:26])=[CH:22][CH:21]=3)=[CH:18][N:19]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.[ClH:27]>O1CCOCC1>[ClH:27].[F:26][C:23]1[CH:24]=[CH:25][C:20]([C:17]2[O:16][C:15]([NH:14][CH:11]3[CH2:12][CH2:13][NH:8][CH2:9][CH2:10]3)=[N:19][CH:18]=2)=[CH:2... | 2 |
FC=1C=CC(=NC1)[C@H](CO)NC1=NC(=C(C=C1)[N+](=O)[O-])NC1=NNC(=C1)OC(C)C>CCO[H].[HH].[Pd]>FC=1C=CC(=NC1)[C@H](CO)NC1=CC=C2C(=N1)N(C=N2)C2=NNC(=C2)OC(C)C | 3 |
S1C(=NN=C1)NC=1C=C(C=CC1)B1OC(C)(C)C(C)(C)O1.FC1=CC=C(C=C1)C=1C=CC=2N(C1)N=CC2I>COCCOC>FC1=CC=C(C=C1)C=1C=CC=2N(C1)N=CC2C=2C=C(C=CC2)NC=2SC=NN2 | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2([C:11]([N:13]3[CH2:17][CH2:16][C@@:15]4([C:21]5[CH:22]=[CH:23][CH:24]=[CH:25][C:20]=5[C:19](=[O:26])[O:18]4)[CH2:14]3)=[O:12])[CH2:10][CH2:9]2)=[CH:4][CH:3]=1.O1CCOCC1.C(P(C(C)(C)C)C(C)(C)C)(C)(C)C.[F-].[K+].Br[C:49]1[CH:54]=[CH:53][C:52]([CH3:55])=[CH:51][N:50]=1>C1C=CC(/C=C/C(/C=C/C2... | 1 |
CC(CC(=O)O)(CC(=O)O)C>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>CC(CCO)(CCO)C | 3 |
BrCC(=O)OC(C)(C)C.C(C1=CC=CC=C1)OCCO>CC(C)(C)[O-].[K+].CC(C)(C)O>C(CCC)OC(COCCOCC1=CC=CC=C1)=O | 3 |
C(#N)C1=CC=C(C=C1)NC(OC(C)(C)C)=O>[HH].[Pd].CC(C)O.C1CCOC1>C(C)(C)(C)OC(=O)NC1=CC=C(CN)C=C1 | 3 |
C(C1=CC=CC=C1)OC(=O)N1CCN(CC1)C(=O)OCCC>CCO[H].[HH].[Pd]>C(CC)OC(=O)N1CCNCC1 | 3 |
COC1=C(C(=O)Cl)C(=CC=C1)OC.Cl.N[C@@H]1[C@@H](COC1)O>ClCCl.C(C)(C)N(C(C)C)CC>O[C@@H]1[C@@H](COC1)NC(C1=C(C=CC=C1OC)OC)=O | 3 |
C(C(C)C)N1C(CC2=CC(=CC=C12)[N+](=O)[O-])=O>O.ClCCl.[Fe].CCO[H].[Cl-].[NH4+]>NC=1C=C2CC(N(C2=CC1)CC(C)C)=O | 3 |
ClC1=CC=C2C(=CN(C2=C1)C=1SC=C(N1)C1=NC2=C(N1)C=CC=C2C(=O)OC)CC(C)C>>ClC1=CC=C2C(=CN(C2=C1)C=1SC=C(N1)C1=NC2=C(N1)C=CC=C2CO)CC(C)C | 5 |
BrC1=CC(=C(C=C1)C1=C(C=NN1[C@@H]1COCC1)C(=O)OCC)F>B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+]>FC1=C(C=CC(=C1)B1OC(C(O1)(C)C)(C)C)C1=C(C=NN1[C@@H]1COCC1)C(=O)OCC | 3 |
ClC(C(=O)OCC)=O.[Br-].FC1=CC=C(C[Zn+])C=C1>C1CCCO1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].[Cl-].[NH4+]>FC1=CC=C(C=C1)CC(C(=O)OCC)=O | 3 |
Br[C:2]1[S:10][C:9]2[C:8](=[O:11])[NH:7][C:6]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=3[Cl:18])=[N:5][C:4]=2[CH:3]=1.[CH3:19][C:20]1[C:24](B2OC(C)(C)C(C)(C)O2)=[CH:23][N:22](C(OC(C)(C)C)=O)[N:21]=1.C(=O)([O-])[O-].[Na+].[Na+].COCCOC>O>[Cl:18][C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=1[C:6]1[NH:7][C:8](=[O:11])[C:... | 1 |
N1CCNCC1.FC=1C=C2N=C(C(=NC2=CC1F)Cl)Cl>CCO[H]>ClC1=NC2=CC(=C(C=C2N=C1N1CCNCC1)F)F | 3 |
C1(=CC=CC=C1)S(=O)(=O)Cl.FC1=C(CN2N=C(C=3CNCCC32)C3=NC=CC=N3)C=CC=C1>c1ccncc1.ClCCCl>FC1=C(CN2N=C(C=3CN(CCC32)S(=O)(=O)C3=CC=CC=C3)C3=NC=CC=N3)C=CC=C1 | 3 |
[CH3:1][O:2][C:3]1[C:4]([CH3:12])=[C:5]([CH:9]=[CH:10][CH:11]=1)[C:6]([OH:8])=O.[NH:13]1[CH2:18][CH2:17][O:16][CH2:15][CH2:14]1.ON1C2C=CC=CC=2N=N1.Cl.C(N=C=NCCCN(C)C)C>ClCCl>[CH3:1][O:2][C:3]1[C:4]([CH3:12])=[C:5]([CH:9]=[CH:10][CH:11]=1)[C:6]([N:13]1[CH2:18][CH2:17][O:16][CH2:15][CH2:14]1)=[O:8] | 2 |
ClC=1C=C(C=CC1)CC(OC(=O)N[C@H](C(=O)O)CC1CCCCC1)C1=CC=CC=C1.Cl.NC(C(=O)OC)CC1C(NC(C1)(C)C)=O>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>ClC=1C=C(C=CC1)CC(OC(=O)N[C@H](C(=O)NC(C(=O)OC)CC1C(NC(C1)(C)C)=O)CC1CCCCC1)C1=CC=CC=C1 | 3 |
C(C1=CC=CC=C1)OC=1C=C(C=CC1)O.C(C)OC(=O)C=1C2=C(C(=NC1)Cl)C(=CS2)CBr>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].C1COCCOCCOCCOCCOCCO1>C(C)OC(=O)C=1C2=C(C(=NC1)Cl)C(=CS2)COC2=CC(=CC=C2)OCC2=CC=CC=C2 | 3 |
COC(CCNC1=C(C=CC=C1[N+](=O)[O-])F)=O>>FC1=CC=CC=2NC(CCNC21)=O | 5 |
[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C@:6]12[CH2:14][NH:13][CH2:12][C@H:11]1[CH2:10][S:9][C:8]([NH:15][C:16](=[O:23])[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)=[N:7]2.CN(C)C(N(C)C)=N.[F:32][C:33]1[CH:34]=[N:35][C:36](Cl)=[N:37][CH:38]=1.O>CS(C)=O>[F:32][C:33]1[CH:34]=[N:35][C:36]([N:13]2[CH2:12][C@@H:11]3[C@@:6]([C:2]... | 1 |
CN1N=C(C(=C1)C1=CC=NC=C1)C1=CC=C(C=C1)C#C[Si](C)(C)C>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(#C)C1=CC=C(C=C1)C1=NN(C=C1C1=CC=NC=C1)C | 3 |
[ClH:1].C([O:9][C:10]1[C:15]2[O:16][C:17]3[C:22]([C:23]4([CH2:28][CH2:27][N:26]([CH3:29])[CH2:25][CH2:24]4)[C:14]=2[CH:13]=[CH:12][CH:11]=1)=[CH:21][CH:20]=[C:19]([O:30][CH3:31])[CH:18]=3)C1C=CC=CC=1>C(O)C.[Pd]>[ClH:1].[OH:9][C:10]1[C:15]2[O:16][C:17]3[C:22]([C:23]4([CH2:24][CH2:25][N:26]([CH3:29])[CH2:27][CH2:28]4)[C:... | 1 |
NC(C(=O)O)(C)C.BrC1=C(N)C(=CC(=C1)F)F>CS(=O)C.Cl[Cu].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>FC=1C=C2NC(C(NC2=C(C1)F)=O)(C)C | 3 |
CN.BrCCOCCOCCOC1=CC=C(C2=CC=CC=C12)C=1N=C(SC1)[C@H]1N(CCC1)C([C@H](C1CCCCC1)NC([C@H](C)N(C(OC(C)(C)C)=O)C)=O)=O>CCO[H]>C1(CCCCC1)[C@@H](C(=O)N1[C@@H](CCC1)C=1SC=C(N1)C1=CC=C(C2=CC=CC=C12)OCCOCCOCCNC)NC([C@H](C)N(C(OC(C)(C)C)=O)C)=O | 3 |
[OH:1][C:2]1[C:9]([OH:10])=[C:8]([OH:11])[CH:7]=[CH:6][C:3]=1[CH:4]=O.[NH:12]([C:14]([C:16]1[CH:21]=[CH:20][C:19](/[CH:22]=[CH:23]/[C:24]([NH:26][OH:27])=[O:25])=[CH:18][CH:17]=1)=[O:15])[NH2:13]>CS(C)=O>[OH:27][NH:26][C:24](=[O:25])/[CH:23]=[CH:22]/[C:19]1[CH:18]=[CH:17][C:16]([C:14]([NH:12]/[N:13]=[CH:4]/[C:3]2[CH:6]... | 1 |
[CH3:1][C:2]1[CH:3]=[C:4]([CH:22]=[CH:23][C:24]=1[CH3:25])[C:5]([C:7]1[C:16](=[O:17])[C:15]2[CH:14]=[C:13]3[O:18][CH2:19][CH2:20][O:21][C:12]3=[CH:11][C:10]=2[NH:9][CH:8]=1)=[O:6].[H-].[Na+].Br.Br[CH2:30][C:31]1[CH:36]=[CH:35][N:34]=[CH:33][CH:32]=1>CN(C)C=O>[CH3:1][C:2]1[CH:3]=[C:4]([CH:22]=[CH:23][C:24]=1[CH3:25])[C:... | 1 |
C(C1=CC=CC=C1)N1CC(C(CC1)=O)C>O.C(Cl)(Cl)(Cl)[H].S(O)(O)(=O)=O.[N-]=[N+]=[N-].[Na+]>C(C1=CC=CC=C1)N1CC(NC(CC1)=O)C | 3 |
FC1=C2C=NN(C2=CC(=C1C(=O)O)F)C.NC=1C=C2C(=NNC2=CC1)N1CC(C1)C(=O)OC>c1ccncc1.CCN=C=NCCCN(C)C>FC1=C2C=NN(C2=CC(=C1C(=O)NC=1C=C2C(=NN(C2=CC1)COCC[Si](C)(C)C)N1CC(C1)C(=O)OC)F)C | 3 |
C(C1=CC=CC=C1)N1C(SC(C1=O)=C1SC2=C(N1C)C=CC=C2)=NC=2C=C(C=CC2NCC)NC(=O)COC(C)=O>>C(C1=CC=CC=C1)N1C(SC(C1=O)=C1SC2=C(N1C)C=CC=C2)=NC=2C=C(C=CC2NCC)NC(CO)=O | 5 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:9]=[CH:10][C:11]3[N:12]([C:14]([S:17][C:18]4[CH:36]=[CH:35][C:21]5[N:22]=[C:23]([NH:25][C:26](=[O:34])OC6C=CC=CC=6)[S:24][C:20]=5[CH:19]=4)=[CH:15][N:16]=3)[CH:13]=2)=[CH:4][CH:3]=1.[N:37]1([CH2:43][CH2:44][NH2:45])[CH2:42][CH2:41][O:40][CH2:39][CH2:38]1>O1CCCC1>[F:1][C:2]1[CH:3]... | 2 |
CC=1CC(N(N1)C1=CC=2CCCCC2C=C1)=O.Br.NC=1C(=C(C=CC1)C1=CC=C(O1)C(=O)O)O>Cl.N(=O)[O-].[Na+]>OC1=C(C=CC=C1NN=C1C(=NN(C1=O)C1=CC=2CCCCC2C=C1)C)C1=CC=C(O1)C(=O)O | 3 |
[CH3:1][C@H:2]1[O:7][C@@H:6]([CH3:8])[CH2:5][N:4]([CH2:9][CH2:10][NH:11][C:12]([NH:14][C:15]2[S:16][C:17]3[CH:23]=[C:22]([S:24]C#N)[CH:21]=[CH:20][C:18]=3[N:19]=2)=[O:13])[CH2:3]1.SCC(C(CS)O)O>P([O-])(O)(O)=O.[K+]>[CH3:8][C@H:6]1[O:7][C@@H:2]([CH3:1])[CH2:3][N:4]([CH2:9][CH2:10][NH:11][C:12]([NH:14][C:15]2[S:16][C:17]3... | 1 |
CI.ClC=1C=C(C=CC1)N=C=S.N#CN.[Na]>CCO[H]>ClC=1C=C(C=CC1)N/C(=N/C#N)/SC | 3 |
[F:1][C:2]([F:11])([F:10])[S:3]([CH2:6][C:7](O)=[O:8])(=[O:5])=[O:4].ON1C(=O)CCC1=O.[NH2:20][CH:21]1[C:39](=[O:40])[N:23]2[C:24]([C:36]([OH:38])=[O:37])=[C:25]([CH2:28][S:29][C:30]3[S:34][C:33]([CH3:35])=[N:32][N:31]=3)[CH2:26][S:27][C@H:22]12>>[F:1][C:2]([F:11])([F:10])[S:3]([CH2:6][C:7]([NH:20][CH:21]1[C:39](=[O:40])... | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)C(N)=S.ClC1=NC=CC(=N1)CC(=O)C=1C(=C(C=CC1)NC(OCC=C)=O)F>O.BrN1C(CCC1=O)=O.CN(C(C)=O)C>ClC1=NC=CC(=N1)C1=C(N=C(S1)C1CCN(CC1)C(=O)OC(C)(C)C)C1=C(C(=CC=C1)NC(=O)OCC=C)F | 3 |
[CH3:1][C:2]1([CH3:13])[O:7][C:6](=[O:8])[C:5](B(O)O)=[C:4]([CH3:12])[O:3]1.Br[C:15]1[CH:16]=[N:17][CH:18]=[N:19][CH:20]=1.C(=O)([O-])[O-].[Na+].[Na+].O1CCCC1>O>[CH3:1][C:2]1([CH3:13])[O:7][C:6](=[O:8])[C:5]([C:15]2[CH:16]=[N:17][CH:18]=[N:19][CH:20]=2)=[C:4]([CH3:12])[O:3]1 | 2 |
FC1(CCC(CC1)C=O)F>>FC1(CCC(CC1)/C=C/C(=O)OCC)F | 5 |
BrC1=CC(=C(C(=O)O)C=C1)F>S(O)(O)(=O)=O.CO[H].C(C)(=O)OCC>FC1=C(C(=O)OC)C=CC(=C1)Br | 3 |
[Si](C)(C)(C(C)(C)C)OC=1C=CC(=NC1)CN1N=C(C=C1)NC(CC1=CC=C(C=C1)C(C)C)=O>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.C(O)([O-])=O.[Na+]>OC=1C=CC(=NC1)CN1N=C(C=C1)NC(CC1=CC=C(C=C1)C(C)C)=O | 3 |
O(C1=CC=CC=C1)C1=CC=C(C(C=O)=C1)O>>OC1=C(C=NO)C=C(C=C1)OC1=CC=CC=C1 | 5 |
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