smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[BH4-].[Na+].[Cl:3][C:4]1[CH:5]=[CH:6][C:7]([O:30]COCCOC)=[C:8]([CH:29]=1)[C:9]([NH:11][C:12]1[CH:17]=[CH:16][C:15]([N:18]2[CH2:23][CH2:22][N:21]([CH2:24][C:25](=[O:27])[CH3:26])[CH2:20][CH2:19]2)=[C:14]([F:28])[CH:13]=1)=[O:10].Cl>CO>[ClH:3].[Cl:3][C:4]1[CH:5]=[CH:6][C:7]([OH:30])=[C:8]([CH:29]=1)[C:9]([NH:11][C:12]1[... | 1 |
[CH:1]([C:3]1[NH:4][C:5]2[CH2:6][CH2:7][CH2:8][CH2:9][C:10]=2[C:11]=1[CH2:12][CH2:13][CH2:14][N:15]1[CH2:20][CH2:19][N:18]([CH2:21][C:22]([OH:24])=[O:23])[CH2:17][CH2:16]1)=O.[CH2:25]([S:27]([C:30]1[CH:31]=[C:32]2[C:36](=[CH:37][CH:38]=1)[NH:35][C:34](=[O:39])[CH2:33]2)(=[O:29])=[O:28])[CH3:26]>>[CH2:25]([S:27]([C:30]1... | 1 |
[CH2:1]([C@@:4]([NH:31][C:32]([O:34][C:35]([CH3:38])([CH3:37])[CH3:36])=[O:33])([CH2:10][CH2:11][CH2:12][C:13]1[CH:18]=[CH:17][C:16]([S:19][C:20]2[CH:25]=[CH:24][CH:23]=[C:22]([C:26]([F:29])([F:28])[F:27])[CH:21]=2)=[CH:15][C:14]=1[Cl:30])[C:5]([O:7][CH2:8][CH3:9])=[O:6])[CH:2]=[CH2:3]>C(OCC)(=O)C>[C:35]([O:34][C:32]([... | 1 |
BrC1=CC=2N=CN(C(C2S1)=O)C1CCN(CC1)C(=O)OC(C)(C)C>O.O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>C(C)(C)(C)OC(=O)N1CCC(CC1)N1C=NC2=C(C1=O)SC(=C2)B(O)O | 3 |
C(O[C:4]([C:6]1[C:7]([OH:27])=[C:8]2[C:20]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=3)=[N:19][S:18][C:9]2=[C:10]([C:12]2[CH:13]=[N:14][CH:15]=[CH:16][CH:17]=2)[N:11]=1)=[O:5])C.[NH2:28][CH2:29][C:30]([OH:32])=[O:31]>>[OH:27][C:7]1[C:6]([C:4]([NH:28][CH2:29][C:30]([OH:32])=[O:31])=[O:5])=[N:11][C:10]([C:12]2[CH:13]=... | 1 |
[CH3:1][N:2]1[C:11]2[C:6](=[CH:7][C:8]([O:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][NH:18][CH2:19][CH2:20][C:21]3[CH:22]=[N:23][CH:24]=[CH:25][CH:26]=3)=[CH:9][CH:10]=2)[CH:5]=[CH:4][C:3]1=[O:27].Br[C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][N:30]=1.CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC... | 2 |
Cl.[F:2][C:3]1[CH:8]=[CH:7][C:6]([NH:9][NH2:10])=[C:5]([CH3:11])[CH:4]=1.C(N(CC)CC)C.FC(F)(F)C(O)=O.[F:26][C:27]([F:45])([F:44])[C:28](=O)[CH2:29][C:30]([C:32]1[CH:42]=[CH:41][C:35]2[O:36][CH2:37][C:38](=[O:40])[NH:39][C:34]=2[CH:33]=1)=O>C(O)(C)C.O>[F:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C:30]([C:32]3[CH:42]=[CH:41][C:35... | 2 |
BrC1=CN(C(C=2N1C=NC2)=O)C.FC1=C(OC2=C(C=C(C=C2)CS(=O)(=O)CC)B2OC(C(O2)(C)C)(C)C)C=CC(=C1)F>>FC1=C(OC2=C(C=C(C=C2)CS(=O)(=O)CC)C2=CN(C(C=3N2C=NC3)=O)C)C=CC(=C1)F | 5 |
NC=1C=C(C=CC1)C(F)(F)F.N1=CN=C(C=C1)C=1C(=NC=CC1)NC=1C=C(C(=O)O)C=CC1C(F)(F)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>N1=CN=C(C=C1)C=1C(=NC=CC1)NC=1C=C(C(=O)NC2=CC(=CC=C2)C(F)(F)F)C=CC1C(F)(F)F | 3 |
NCCC(=O)O.O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)F)=O)=O>Cl.C(C)(C)N(C(C)C)CC.CN1C(CCC1)=O>O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)NCCC(=O)O)=O)=O | 3 |
[CH2:1]([CH2:3][NH2:4])[OH:2].Cl[C:6]1[C:7]2[C:8](=[C:13]([CH3:17])[N:14]([CH3:16])[N:15]=2)[N:9]=[C:10]([CH3:12])[CH:11]=1>>[OH:2][CH2:1][CH2:3][NH:4][C:6]1[C:7]2[C:8](=[C:13]([CH3:17])[N:14]([CH3:16])[N:15]=2)[N:9]=[C:10]([CH3:12])[CH:11]=1 | 1 |
CC(C)(C)C=1C=C(C(=O)N)C=C(C1O)C(C)(C)C.ClCC(CC(=O)OC)=O>C1(=CC=CC=C1)C.O.O1CCOCC1>COC(CC=1N=C(OC1)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)=O | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NC1=C(C=C(C=C1Br)Br)CNC1CCC(CC1)O>O.CCN(CC)CC.O1CCOCC1>C(C)(C)(C)OC(=O)NC1=C(C=C(C=C1Br)Br)CNC1CCC(CC1)O | 3 |
[CH3:1][C:2]1([C:8]2[CH:9]=[C:10]([NH:14][S:15]([CH3:18])(=[O:17])=[O:16])[CH:11]=[CH:12][CH:13]=2)[CH:7]2[CH:3]1[CH2:4][NH:5][CH2:6]2.C(=O)([O-])O.[Na+].BrC1C=CC(S(O[CH2:35][CH2:36][C@@H:37]([CH:39]2[CH2:44][CH2:43][CH2:42][CH2:41][CH2:40]2)[OH:38])(=O)=O)=CC=1.C(OCC)C>CN(C)C=O.O>[NH3:5].[CH:39]1([CH:37]([OH:38])[CH2:... | 1 |
[NH2:1][CH2:2][C:3](C1C=NC=CC=1)=O.NC(N)=O.[S-:15][C:16]#[N:17].[K+].C(=O)(O)[O-].[Na+]>O>[SH:15][C:16]1[NH:1][CH:2]=[CH:3][N:17]=1.[N:17]1[C:16](=[S:15])[N:1]=[CH:2][CH:3]=1 | 2 |
C(=O)([O-])[O-].[K+].[K+].[CH3:7][N:8]=[C:9]=[O:10].[CH3:11][C:12]1[C:13]([O:18][C:19]2[CH:24]=[CH:23][C:22]([N+:25]([O-:27])=[O:26])=[CH:21][C:20]=2[C:28]([F:31])([F:30])[F:29])=[N:14][NH:15][C:16]=1[CH3:17].Cl>C(OCC)(=O)C>[CH3:7][NH:8][C:9]([N:15]1[C:16]([CH3:17])=[C:12]([CH3:11])[C:13]([O:18][C:19]2[CH:24]=[CH:23][C... | 1 |
C(C)(=O)N1CCNCC1.BrC=1C=CC(=C(C(=O)O)C1)C>ClCCl.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>BrC=1C=CC(=C(C(=O)N2CCN(CC2)C(C)=O)C1)C | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[CH2:11][S:10](=[O:13])(=[O:12])[NH:9][N:8]=[C:7]([C:14]3[CH:19]=[CH:18][CH:17]=[C:16]([F:20])[CH:15]=3)[C:6]=2[CH:21]=1.[CH3:22]I>>[F:20][C:16]1[CH:15]=[C:14]([C:7]2[C:6]3[CH:21]=[C:2]([Cl:1])[CH:3]=[CH:4][C:5]=3[CH2:11][S:10](=[O:12])(=[O:13])[N:9]([CH3:22])[N:8]=2)[CH:19]=[CH:18][CH:17... | 2 |
C(CC(=O)OCC)(=O)OCC.C(C)OC(C(C(=O)OCC)C1=C(C=C(C=C1)C(C)=O)[N+](=O)[O-])=O>O1CCOCC1>C(C)(=O)C1=CC(=C(C=C1)CC(=O)O)[N+](=O)[O-] | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)C=O.BrC1=CC=C(C=C1)[C@H]1[C@@H](C1)N>>BrC1=CC=C(C=C1)[C@H]1[C@@H](C1)NCC1CCN(CC1)C(=O)OC(C)(C)C | 5 |
[CH3:1][C:2]1[CH:7]=[C:6]([NH2:8])[CH:5]=[CH:4][N:3]=1.[Li+].C[Si]([N-][Si](C)(C)C)(C)C.[Br:19][C:20]1[CH:21]=[C:22]2[C:27](=[CH:28][CH:29]=1)[CH:26]=[N:25][C:24](F)=[CH:23]2>C1COCC1>[Br:19][C:20]1[CH:21]=[C:22]2[C:27](=[CH:28][CH:29]=1)[CH:26]=[N:25][C:24]([NH:8][C:6]1[CH:5]=[CH:4][N:3]=[C:2]([CH3:1])[CH:7]=1)=[CH:23]... | 1 |
BrCC=1C=C(C(=O)OC)C=CC1.[N+](=O)([O-])C=1C=C2C=NNC2=CC1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>[N+](=O)([O-])C=1C=C2C=NN(C2=CC1)CC=1C=C(C(=O)OC)C=CC1 | 3 |
FC=1C=C2CC(NC2=CC1)=O.CC1=C(NC2=C1C(N(CC2)CCN2CCCC2)=O)C=O>>FC=1C=C2C(C(NC2=CC1)=O)=CC1=C(C=2C(N(CCC2N1)CCN1CCCC1)=O)C | 5 |
C(\C=C/C(=O)O)(=O)O.COC1=NC=C(C(=C1C)C=1C=CC=2C3=C(C(NC2C1)=O)C=NN3[C@@H]3COCC3)C>>C(\C=C/C(=O)O)(=O)O.COC1=NC=C(C(=C1C)C=1C=CC=2C3=C(C(NC2C1)=O)C=NN3[C@@H]3COCC3)C | 5 |
I[Si](C)(C)C.COC1=CC=C(C=N1)C1=CC=C(C=C1)CN1N=C2C(C3=C1N=CC=C3)=NN(C2=O)C2COCCC2>ClCCl>OC1=CC=C(C=N1)C1=CC=C(C=C1)CN1N=C2C(C3=C1N=CC=C3)=NN(C2=O)C2COCCC2 | 3 |
ClC(=O)OCCCC.S1C=C(C=C1)C=1N(C=CN1)CC=1C=C(C=CC1)C1=C(SC(=C1)CC(C)C)S(=O)(=O)NC(C)(C)C>>C(CCC)OC(=O)NS(=O)(=O)C=1SC(=CC1C1=CC(=CC=C1)CN1C(=NC=C1)C1=CSC=C1)CC(C)C | 5 |
ClC=1C=C(C=CC1F)NC1=NC=NC2=CC(=C(C=C12)OC)O[C@H]1C[C@H](NC1)C(=O)N(C)C>CO[H].[Mg+2].[O-]S([O-])(=O)=O.C=O.C(#N)[BH3-].[Na+]>N.ClC=1C=C(C=CC1F)NC1=NC=NC2=CC(=C(C=C12)OC)O[C@H]1C[C@H](N(C1)C)C(=O)N(C)C | 3 |
[CH3:1][O:2][C:3]1[C:22]([O:23][CH3:24])=[CH:21][C:6]2[S:7][C:8]([CH:19]=O)=[C:9]([O:10][C:11]3[CH:16]=[CH:15][C:14]([O:17][CH3:18])=[CH:13][CH:12]=3)[C:5]=2[CH:4]=1.[N:25]1[CH:30]=[CH:29][C:28]([CH2:31][C:32]([O:34][CH2:35][CH3:36])=[O:33])=[CH:27][CH:26]=1.C(OC(=O)C)(=O)C.C([O-])(O)=O.[Na+]>>[CH3:1][O:2][C:3]1[C:22](... | 1 |
[CH3:1][S:2]([NH:5][C:6]1[CH:21]=[CH:20][C:9]2[NH:10][C:11]([CH2:16][C:17](O)=[O:18])=[N:12][S:13](=[O:15])(=[O:14])[C:8]=2[CH:7]=1)(=[O:4])=[O:3].C([O:24][C:25]([CH:27]1[CH2:31][CH2:30][CH2:29][CH:28]1[NH:32][CH2:33][CH2:34][C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1)=O)C.CN1CCOCC1.Cl.CN(C)CCCN=C=NCC.[O-]CC.[Na+].C... | 1 |
C(C)(C)(C)C1=NN2C(N=C(C(=C2C2=C(C=C(C=C2)Cl)F)C(C(=O)OC)CCC)C)=C1>CO[H].[OH-].[Na+]>C(C)(C)(C)C1=NN2C(N=C(C(=C2C2=C(C=C(C=C2)Cl)F)C(C(=O)O)CCC)C)=C1 | 3 |
[OH:1][C@@H:2]1[CH2:9][N:8]([C:10](=[O:22])[CH2:11][CH2:12][CH2:13][N:14]2[CH2:19][CH2:18][NH:17][C@@H:16]([CH3:20])[C:15]2=[O:21])[CH2:7][CH2:6][C:3]21[CH2:5][CH2:4]2.[Cl:23][C:24]1[CH:29]=[CH:28][C:27]([N:30]=[C:31]=[O:32])=[CH:26][C:25]=1[O:33][C:34]([F:37])([F:36])[F:35]>>[Cl:23][C:24]1[CH:29]=[CH:28][C:27]([NH:30]... | 1 |
CO[C:3](=[O:69])[C@H:4]([CH2:60][O:61][CH2:62][C:63]1[CH:68]=[CH:67][CH:66]=[CH:65][CH:64]=1)[NH:5][C:6](=[O:59])[C@H:7]([CH2:44][C:45]1[CH:50]=[CH:49][C:48]([O:51][CH2:52][C:53]2[CH:58]=[CH:57][CH:56]=[CH:55][CH:54]=2)=[CH:47][CH:46]=1)[NH:8][C:9](=[O:43])[C@@H:10]1[CH2:14][CH2:13][CH2:12][N:11]1[C:15](=[O:42])[C@@H:1... | 1 |
O[C@H]1CN(C[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>[Si](C)(C)(C(C)(C)C)O[C@H]1CN(CC1=O)C(=O)OC(C)(C)C | 3 |
CC(C(=O)O)(C)C.COC(C)(OC)OC.OC(CCCC)C=1C(CCC1)=O>CO[H]>O=C1C(C(CC1)CC(=O)OC)=CCCCC | 3 |
C1(=CC=C(C=C1)OC)O[H].BrCC1=C(C#N)C(=CC=C1)[N+](=O)[O-]>N(C)(C)C=O.c1ccncc1.C([O-])([O-])=O.[K+].[K+]>COC1=CC=C(OCC2=C(C#N)C(=CC=C2)[N+](=O)[O-])C=C1 | 3 |
C(#N)C=1C=C(C=CC1F)Br.OC1CCSCC1>>BrC=1C=CC(=C(C#N)C1)OC1CCSCC1 | 5 |
[C:1]([C:4]1[CH:5]=[C:6]([C:10]2[O:14][C:13]([C:15]([OH:17])=[O:16])=[CH:12][CH:11]=2)[CH:7]=[CH:8][CH:9]=1)(=O)[CH3:2].[NH:18]([C:20]1[S:21][C:22]2[CH:28]=[CH:27][CH:26]=[CH:25][C:23]=2[N:24]=1)[NH2:19]>C(O)C>[S:21]1[C:22]2[CH:28]=[CH:27][CH:26]=[CH:25][C:23]=2[N:24]=[C:20]1[NH:18][N:19]=[C:1]([C:4]1[CH:5]=[C:6]([C:10... | 2 |
C(C1=CC=2OCOC2C=C1)N1CCNCC1.BrCC1N=C2N(C(NC=3C=CC=CC23)=O)C1>CC#N>Br.C(C1=CC=2OCOC2C=C1)N1CCN(CC1)CC1N=C2N(C(NC=3C=CC=CC23)=O)C1.CC1N=C2N(C(NC=3C=CC=CC23)=O)C1 | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NC1=NC=C(C=C1)Br>C1CCCO1>C(C)(C)(C)OC(=O)NC1=NC=C(C=C1)Br | 3 |
[CH2:1]([O:3][C:4](=[O:24])[CH2:5][CH:6]1[O:10][B:9]([OH:11])[C:8]2[CH:12]=[C:13]([O:17][C:18]3[S:22][N:21]=[C:20](Cl)[N:19]=3)[CH:14]=[C:15]([CH3:16])[C:7]1=2)[CH3:2]>CO.[Pd]>[CH2:1]([O:3][C:4](=[O:24])[CH2:5][CH:6]1[O:10][B:9]([OH:11])[C:8]2[CH:12]=[C:13]([O:17][C:18]3[S:22][N:21]=[CH:20][N:19]=3)[CH:14]=[C:15]([CH3:... | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:9]([CH2:21][CH3:22])[C:10]3[C:15]([C:16]=2[C:17]#[N:18])=[CH:14][CH:13]=[C:12]([O:19][CH3:20])[CH:11]=3)=[CH:4][C:3]=1[F:23].Cl[C:25]([O:27][CH2:28][CH2:29][CH3:30])=[O:26]>CCOC(C)=O.C([O-])(O)=O.[Na+].O>[CH2:28]([O:27][C:25](=[O:26])[NH:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:9]([C... | 1 |
C(C1=CC=CC=C1)(=O)Cl.C(C(C)C)S.C(C1=CC=CC=C1)(=O)SC(C)(C)C>>C(C1=CC=CC=C1)(=O)SC(C)(C)C | 5 |
I[C:2]1[CH:7]=[CH:6][N:5]([CH2:8][CH2:9][C@@:10]([CH3:25])([S:21]([CH3:24])(=[O:23])=[O:22])[C:11]([NH:13][O:14][C@@H:15]2[CH2:20][CH2:19][CH2:18][CH2:17][O:16]2)=[O:12])[C:4](=[O:26])[CH:3]=1.[F:27][C:28]1[CH:29]=[C:30]([CH:46]=[CH:47][C:48]=1B1OC(C)(C)C(C)(C)O1)[O:31][CH2:32][C@H:33]1[CH2:38][CH2:37][C@H:36]([O:39][C... | 1 |
[CH:1]1([CH2:7][CH2:8][CH2:9][C@@H:10]([C:19]2[O:23][N:22]=[C:21]([CH2:24]OS(C3C=CC(C)=CC=3)(=O)=O)[N:20]=2)[CH2:11][C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[NH:36]1[CH2:40][CH2:39][CH2:38][CH2:37]1>>[CH:1]1([CH2:7][CH2:8][CH2:9][C@@H:10]([C:19]2[O:23][N:22]=[C:21]([C... | 1 |
BrC1=NNC=C1.IC=1C=CC(=C(C1)CNC(OC)=O)C>>BrC1=NN(C=C1)C=1C=CC(=C(C1)CNC(OC)=O)C | 5 |
BrC1=C(N(C=C1S(=O)(=O)Cl)C)C(=O)OC.Cl.CC(CC=C)N>C1CCCO1.C(C)(C)N(C(C)C)CC.[Cl-].[NH4+]>BrC1=C(N(C=C1S(NC(CC=C)C)(=O)=O)C)C(=O)OC | 3 |
COCCOCC(C)(C)C1=CC=C(C=C1)[N+](=O)[O-]>CO[H].[HH].[Ni]>COCCOCC(C)(C)C1=CC=C(C=C1)N | 3 |
[C:1]([O:5][C:6]([CH3:9])([CH3:8])[CH3:7])(=[O:4])[NH:2][NH2:3].CCN(CC)CC.[F:17][C:18]1[CH:27]=[CH:26][C:21]([C:22]([CH2:24]Br)=[CH2:23])=[CH:20][CH:19]=1>CO>[C:6]([O:5][C:1]([NH:2][NH:3][CH2:24][C:22]([C:21]1[CH:26]=[CH:27][C:18]([F:17])=[CH:19][CH:20]=1)=[CH2:23])=[O:4])([CH3:9])([CH3:8])[CH3:7] | 2 |
OC1=C(C=NC2=CC(=CC=C12)OC)C(=O)O>C(C)(=O)OCC.C1(=CC=CC=C1)OC1=CC=CC=C1>COC1=CC=C2C(=CC=NC2=C1)O | 3 |
C1(=CC=CC=C1)C1=NN2C(C=CC=C2)=C1CC#N>CO[H].Cl.[OH-].[Na+]>C1(=CC=CC=C1)C1=NN2C(C=CC=C2)=C1CC(=O)O | 3 |
C([O:9][C@@H:10]1[C@@H:39]([O:40]C(=O)C2C=CC=CC=2)[C@H:38]([O:49]C(=O)C2C=CC=CC=2)[C@@H:37]([C@@H:58]([CH3:68])[O:59]C(=O)C2C=CC=CC=2)[O:36][C@H:11]1[O:12][C:13]1[CH:18]=[C:17]([CH2:19][O:20]C(=O)C)[CH:16]=[CH:15][C:14]=1[CH2:24][C:25]1[CH:30]=[CH:29][C:28]([O:31][C:32]([F:35])([F:34])[F:33])=[CH:27][CH:26]=1)(=O)C1C=C... | 2 |
ClC1=C2C(=CC=NC2=C(C=C1)O)[2H]>C(C)(=O)O.N(=O)[O-].[Na+]>ClC1=C2C(=CC=NC2=C(C(=C1)[N+](=O)[O-])O)[2H] | 3 |
CC=1C(=C(C2=CC=C(C=C2C1)C)OS(=O)(=O)C(F)(F)F)C(C(=O)OCC)=O>>CC=1C(=C(C2=CC=C(C=C2C1)C)OS(=O)(=O)C(F)(F)F)[C@@H](C(=O)OCC)O | 5 |
O=C1C=NC2=C(N1)C=C(S2)C(=O)OC>>O=C1C=NC2=C(N1)C=C(S2)C(=O)O | 5 |
N[C:2]1[N:7]2[C:8]([CH2:15][CH:16]3[CH2:21][CH2:20][C:19]([F:23])([F:22])[CH2:18][CH2:17]3)=[C:9]([C:11]([F:14])([F:13])[F:12])[N:10]=[C:6]2[CH:5]=[C:4]([C:24]([O:26][CH3:27])=[O:25])[CH:3]=1.[ClH:28].N([O-])=O.[Na+].C(=O)([O-])O.[Na+]>C(#N)C.[Cu]Cl>[Cl:28][C:2]1[N:7]2[C:8]([CH2:15][CH:16]3[CH2:21][CH2:20][C:19]([F:23]... | 2 |
[CH3:1][C@@H:2]([O:7][C@@H:8]([CH3:44])[C@H:9]([NH:36][C:37](=[O:43])[O:38][C:39]([CH3:42])([CH3:41])[CH3:40])[C:10]([N:12]1[CH2:16][C@H:15]([OH:17])[CH2:14][C@H:13]1[C:18](=[O:35])[NH:19][C@:20]1([C:25](=[O:34])[NH:26][S:27]([C:30]2([CH3:33])[CH2:32][CH2:31]2)(=[O:29])=[O:28])[CH2:22][C@H:21]1C=C)=[O:11])[CH2:3][CH2:4... | 2 |
O1CCC(=CC1)C1=NC=2N(C(=N1)N[C@@H]1CCC=3NC4=CC=CC=C4C3C1)N=CC2C(C)C>CO[H].[HH].[Pd]>C(C)(C)C=1C=NN2C1N=C(N=C2N[C@@H]2CCC=1NC3=CC=CC=C3C1C2)C2CCOCC2 | 3 |
BrCC1=CC=CC(=N1)N1C(C=2C(C1=O)=CC=CC2)=O.ON=C(C=1SC=CC1)C1=CN=CN1C>CC#N.[I-].[K+].C(=O)([O-])[O-].[Cs+].[Cs+]>CN1C=NC=C1C(C=1SC=CC1)=NOCC1=CC=CC(=N1)N1C(C2=CC=CC=C2C1=O)=O | 3 |
[O:1]([C:8]1[CH:9]=[C:10]([CH:13]=[CH:14][CH:15]=1)[CH:11]=[O:12])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Cl:16][C:17]1[CH:22]=[CH:21][C:20]([CH:23]([CH:27]([CH3:29])[CH3:28])[C:24](Cl)=[O:25])=[CH:19][CH:18]=1.[C-:30]#[N:31].[Na+]>O.CCCCCCC>[Cl:16][C:17]1[CH:22]=[CH:21][C:20]([CH:23]([CH:27]([CH3:29])[CH3:28])[C:24]... | 1 |
C1=CC2=C(C=C1C=O)OCO2.NCC[C@H]1[C@@H]2CCC([C@]2(CC[C@@H]1[C@@]1([C@H](C[C@H](CC1)O)O)C)C)=C>C1CCCO1.CO[H].ClCCl.[Mg+2].[O-]S([O-])(=O)=O.[Na+].[BH4-]>O1COC2=C1C=CC(=C2)CNCC[C@H]2[C@@H]1CCC([C@]1(CC[C@@H]2[C@@]2([C@H](C[C@H](CC2)O)O)C)C)=C | 3 |
BrC1=CC=C(C=C1)C1=CN=C(N1)[C@H]1N(C[C@@H](C1)O)C(=O)OCC1=CC=CC=C1>>BrC1=CC=C(C=C1)C1=CN=C(N1)[C@H]1N(C[C@H](C1)F)C(=O)OCC1=CC=CC=C1 | 5 |
CC[Mg+].[Br-].FC=1C=C(C=CC1)O>C1CCCO1.C=O.CCN(CC)CC>FC1=CC(=C(C=O)C=C1)O | 3 |
Cl[C:2]1[C:7]([C:8]([F:11])([F:10])[F:9])=[CH:6][CH:5]=[CH:4][N:3]=1.[C:12](=[O:15])([O-])[O-:13].[K+].[K+].O.[C:19](#N)[CH3:20]>[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>[F:9][C:8]([F:11])([F:10])[C:7... | 1 |
[NH2:1][C:2]1[N:3]=[CH:4][C:5]([CH:19]2[CH2:24][CH2:23][CH2:22][N:21]([C:25]([O:27][CH3:28])=[O:26])[CH2:20]2)=[N:6][C:7]=1[C:8]1[CH:13]=[CH:12][C:11]([C:14]([O:16]C)=[O:15])=[C:10]([F:18])[CH:9]=1.[Li+].[OH-].Cl>C1COCC1.CO>[NH2:1][C:2]1[C:7]([C:8]2[CH:13]=[CH:12][C:11]([C:14]([OH:16])=[O:15])=[C:10]([F:18])[CH:9]=2)=[... | 1 |
[S:1]([C:5]1[CH:13]=[CH:12][C:8]([C:9]([OH:11])=O)=[CH:7][CH:6]=1)(=[O:4])(=[O:3])[NH2:2].CCN(CC)CC.ClC(OCC)=O.[CH2:27]([O:29][C:30]([C:32]1[C:37](=[O:38])[N:36]2[CH:39]=[CH:40][CH:41]=[C:42]([SH:43])[C:35]2=[N:34][CH:33]=1)=[O:31])[CH3:28]>CN(C=O)C.O.C(OCC)(=O)C>[CH2:27]([O:29][C:30]([C:32]1[C:37](=[O:38])[N:36]2[CH:3... | 1 |
BrC=1C=C(C=NC1)OC(C(=O)OC)CC>CN1C(CCC1)=O.[Cu+].[C-]#N>C(#N)C=1C=C(C=NC1)OC(C(=O)OC)CC | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC1=CC=C(CN)C=C1>O.ClCCl.CCN(CC)CC>BrC1=CC=C(CNC(OC(C)(C)C)=O)C=C1 | 3 |
OC1CCNCC1.FC1=NC=CC(=C1)C1=NC(=CC=C1)C1=CN=C2N1N=C(C=C2)N2[C@H](CCC2)C2=CC(=CC=C2)F>[F-].[K+].CS(=O)C>FC=1C=C(C=CC1)[C@@H]1N(CCC1)C=1C=CC=2N(N1)C(=CN2)C2=CC=CC(=N2)C2=CC(=NC=C2)N2CCC(CC2)O | 3 |
C(CCCC)[Mg]Br.ClC(=O)OC1=CC=CC=C1.Cl.ClC1=CC=NC=C1>C1CCCO1>ClC1=CC(N(C=C1)C(=O)OC1=CC=CC=C1)CCCCC | 3 |
Cl.CON.NC1=NC=NC(=C1C=O)Cl.FC(C(=O)O)(F)F.C(C)(C)C1=CC=C(C=C1)NC(CC1CNCC1)=O>>NC1=C(C(=NC=N1)N1CC(CC1)CC(=O)NC1=CC=C(C=C1)C(C)C)C=NOC | 5 |
ClC=1C=C(C=CC1C#N)C1=NN(C=C1)C[C@H](C)NC(=O)C=1N=C(OC1)CCl>N(C)(C)C=O.c1cnc[nH]1.[H-].[Na+]>N1(C=NC=C1)CC=1OC=C(N1)C(=O)NC(CN1N=C(C=C1)C1=CC(=C(C=C1)C#N)Cl)C | 3 |
CSC=1C=NN(C1)CC#N>[H-].[Na+].BrCCBr>CSC=1C=NN(C1)C1(CC1)C#N | 3 |
[F:1][C:2]([F:16])([F:15])[O:3][C:4]1[CH:9]=[CH:8][C:7]([NH:10][CH2:11][C@@H:12]([NH2:14])[CH3:13])=[CH:6][CH:5]=1.[CH2:17]([O:24][C:25]([NH:27][C@@H:28]([CH2:32][CH:33]1[CH2:38][CH2:37][CH2:36][CH2:35][CH2:34]1)[C:29](O)=[O:30])=[O:26])[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.... | 1 |
N[C@H]1CC[C@H](CC1)C(=O)O>CO[H].S(=O)(=O)(Cl)Cl>Cl.COC(=O)[C@@H]1CC[C@@H](CC1)N | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.OCC1CCNCC1>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>C(C)(C)(C)OC(=O)N1CCC(CC1)CO | 3 |
OC1=C(C(C2(C3=CC=C(C=C13)C1=CC=CC=C1)CCCC2)=O)C(=O)NCC(=O)OC(C)(C)C>>OC1=C(C(C2(C3=CC=C(C=C13)C1=CC=CC=C1)CCCC2)=O)C(=O)NCC(=O)O | 5 |
C1(CC1)C1=CC(=NO1)C(=O)N[C@@H]1C[C@H](N(CC1)C(=O)OC(C)(C)C)C>Cl.O1CCOCC1>Cl.C1(CC1)C1=CC(=NO1)C(=O)N[C@@H]1C[C@H](NCC1)C | 3 |
C(C)(C)C1=CC=C(C=C1)C=1SC(=CN1)C=1C=C(C(=O)OC)C=CC1>O.CO[H].[OH-].[Li+]>C(C)(C)C1=CC=C(C=C1)C=1SC(=CN1)C=1C=C(C(=O)O)C=CC1 | 3 |
BrCCCCC(=O)OCC.N1CCNCCC1>CC#N.C([O-])([O-])=O.[Na+].[Na+]>C(C)OC(CCCCN1CCNCCC1)=O | 3 |
C([O:3][C:4]([C:6]1([NH:15][C:16](=[O:30])[C:17]2[CH:22]=[C:21]([Br:23])[CH:20]=[C:19]([CH3:24])[C:18]=2[O:25][CH:26]2[CH2:29][CH2:28][CH2:27]2)[CH2:14][C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH2:7]1)=[O:5])C.O1CCOCC1.CO.O>CO.C(Cl)Cl>[Br:23][C:21]1[CH:20]=[C:19]([CH3:24])[C:18]([O:25][CH:26]2[CH2:29][CH2:28][CH2:... | 1 |
[F:1][C:2]1([F:14])[O:6][C:5]2[CH:7]=[CH:8][CH:9]=[C:10]([C:11]([OH:13])=[O:12])[C:4]=2[O:3]1.C([Li])CCC.[Cl:20]C(Cl)(Cl)C(Cl)(Cl)Cl.Cl>O1CCCC1.CCCCCC>[Cl:20][C:7]1[C:5]2[O:6][C:2]([F:1])([F:14])[O:3][C:4]=2[C:10]([C:11]([OH:13])=[O:12])=[CH:9][CH:8]=1 | 1 |
NOC1CCN(CC1)C(=O)OC(C)(C)C.FC1=C(C=CC(=C1)I)NC1=C(C=C2N1C=NC=C2)C(=O)O>>C(C)(C)(C)OC(=O)N1CCC(CC1)ONC(=O)C=1C=C2N(C=NC=C2)C1NC1=C(C=C(C=C1)I)F | 5 |
C(C)OC(=O)C=1C=2C[C@@H]3[C@H](C2N(N1)C1=NC=C(N=C1)Br)C3>>OC=1N=CC(=NC1)N1N=C(C=2C[C@@H]3[C@H](C12)C3)C(=O)O | 5 |
C(NC(C)C)(C)C.C([Li])CCC.[N:13]1[CH:18]=[CH:17][C:16]([CH3:19])=[CH:15][CH:14]=1.[CH:20]1([C:25]2[NH:26][C:27]3[C:33]([C:34](OC)=[O:35])=[CH:32][CH:31]=[C:30]([O:38][CH3:39])[C:28]=3[N:29]=2)[CH2:24][CH2:23][CH2:22][CH2:21]1>O1CCCC1>[CH:20]1([C:25]2[NH:26][C:27]3[C:33]([C:34](=[O:35])[CH2:19][C:16]4[CH:17]=[CH:18][N:13... | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)CC1=CC=C(C=C1)[N+](=O)[O-]>C1CCCO1.CO[H].O.NN.[Fe](Cl)(Cl)Cl>C(C)(C)(C)OC(=O)N1CCC(CC1)CC1=CC=C(C=C1)N | 3 |
C(OC(=O)[NH:7][CH2:8][CH2:9][NH:10][C:11]1[S:12][C:13]([C:20]2[C:21]([CH3:35])=[N:22][N:23]3[C:28]([CH:29]([CH2:32][CH3:33])[CH2:30][CH3:31])=[CH:27][C:26]([CH3:34])=[N:25][C:24]=23)=[C:14]([C:16]([F:19])([F:18])[F:17])[N:15]=1)(C)(C)C.[ClH:37]>CO>[ClH:37].[CH2:30]([CH:29]([C:28]1[N:23]2[N:22]=[C:21]([CH3:35])[C:20]([C... | 1 |
[NH2:1][C:2]1[C:7]([NH2:8])=[CH:6][CH:5]=[CH:4][N:3]=1.[Cl:9][CH:10]([CH3:13])[C:11]#N>O>[Cl:9][CH:10]([C:13]1[NH:1][C:2]2=[N:3][CH:4]=[CH:5][CH:6]=[C:7]2[N:8]=1)[CH3:11] | 1 |
C(C1=CC=CC=C1)N1CC(OCC1)C(=O)N(C)C>CCO[H].[Pd].C(=O)[O-].[NH4+]>CN(C(=O)C1CNCCO1)C | 3 |
O1C=CC=C1.C1(C=2C(C(N1CCCCC=O)=O)=CC=CC2)=O>C1CCCO1>OC(CCCCN1C(C2=CC=CC=C2C1=O)=O)C=1OC=CC1 | 3 |
C[Si](C)(C)C=[N+]=[N-].C1(=CC=CC=C1)C#CC=1C=C(C=NC1)C(=O)O>C(C)OCC.CO[H]>COC(C1=CN=CC(=C1)C#CC1=CC=CC=C1)=O | 3 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[O:7][CH2:8][C:9]1[CH:27]=[CH:26][C:12]([CH2:13][C:14]2[CH:18]=[C:17]([C:19]3[C:20]([NH2:25])=[N:21][CH:22]=[CH:23][CH:24]=3)[O:16][N:15]=2)=[CH:11][CH:10]=1.[CH3:28][S:29]([OH:32])(=[O:31])=[O:30]>CO.C(OCC)(=O)C>[CH3:28][S:29]([OH:32])(=[O:31])=[O:30].[CH3:28][S:29]([OH:32])(=[O:... | 1 |
CC(C)([O-])C.[Na+].[OH:7][CH2:8][CH2:9][C@H:10]1[CH2:12][C@@H:11]1[CH:13]1[CH2:18][CH2:17][N:16]([C:19]([O:21][CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)=[O:20])[CH2:15][CH2:14]1.[N:29]1([C:33](=[O:42])[CH2:34][C:35]2[CH:36]=[N:37][C:38](Cl)=[CH:39][CH:40]=2)[CH2:32][CH2:31][CH2:30]1>C1COCC1>[N:29]1([C:33](... | 2 |
C1(CC1)C#C.NC=1O[C@@H](C[C@@](N1)(CF)C=1C=C(C=CC1F)NC(C1=NC=C(C=C1)Br)=O)C(F)(F)F>>NC=1O[C@@H](C[C@@](N1)(CF)C=1C=C(C=CC1F)NC(C1=NC=C(C=C1)C#CC1CC1)=O)C(F)(F)F | 5 |
NC=1C(=NC(=CN1)Br)C#CC=1C=C(C=CC1)O.CC1(OB(OC1(C)C)C=1CCN(CC1)C(CC)=O)C>>NC=1N=CC(=NC1C#CC1=CC(=CC=C1)O)C=1CCN(CC1)C(CC)=O | 5 |
C(C(=C)C)(=O)OC(C(=C)C)=O.C(C=C)(=O)OCC(COC(C(=C)C)=O)O>C1(=CC=NC=C1)N(C)C.CCN(CC)CC.CC(=O)C>C(C=C)(=O)OCC(COC(C(=C)C)=O)OC(C(=C)C)=O | 3 |
FC1=CC=C(C=O)C=C1.CN1C(C(NCC1)=O)=O>>CN1C(C(N(CC1)C1=CC=C(C=O)C=C1)=O)=O | 5 |
[CH2:1]([Si:4]([Cl:7])([Cl:6])[Cl:5])[CH:2]=[CH2:3].[Cl-].[Na+].[C:10]1([CH3:16])[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1>[Cl-].[Al+3].[Cl-].[Cl-]>[CH3:16][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[CH:2]([CH3:3])[CH2:1][Si:4]([Cl:7])([Cl:6])[Cl:5] | 1 |
[CH2:1]([O:3][C:4]([C:6]1[CH:7]=[N:8][N:9]([CH3:14])[C:10]=1[C:11]([OH:13])=O)=[O:5])[CH3:2].Cl.Cl.[CH3:17][N:18]1[C:22]2[CH:23]=[CH:24][CH:25]=[CH:26][C:21]=2[N:20]=[C:19]1[CH2:27][CH2:28][NH2:29]>>[CH3:14][N:9]1[C:10]([C:11](=[O:13])[NH:29][CH2:28][CH2:27][C:19]2[N:18]([CH3:17])[C:22]3[CH:23]=[CH:24][CH:25]=[CH:26][C... | 1 |
[C:1]([O:5][CH2:6][CH3:7])(=[O:4])C#C.[Cl:8][C:9]1[N:10]=[C:11]([NH:17][C:18]2[CH:23]=[CH:22][C:21]([I:24])=[CH:20][CH:19]=2)[C:12](=O)O[C:14]=1[CH3:15].[C:25](OCCCC)(=O)C>>[CH2:6]([O:5][C:1](=[O:4])[C:12]1[CH:15]=[C:14]([CH3:25])[C:9]([Cl:8])=[N:10][C:11]=1[NH:17][C:18]1[CH:23]=[CH:22][C:21]([I:24])=[CH:20][CH:19]=1)[... | 2 |
C(C)(C)(C)C1=CC=C(C=C1)B(O)O.BrC1=CC=C2C=C(NC2=C1)C(=O)OCC.C(C)(C)(C)P(C1=C(C=CC=C1)C1=C(C=CC=C1)P(C(C)(C)C)C(C)(C)C)C(C)(C)C>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C)OC(=O)C=1NC2=CC(=CC=C2C1)C1=CC=C(C=C1)C(C)(C)C | 3 |
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