smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
ClC1=NC(=NC=C1Cl)N.IC1=CC=C2C(=NNC2=C1)C(C)(C)O>N(C)(C)C=O.[H-].[Na+]>NC1=NC=C(C(=N1)N1N=C(C2=CC=C(C=C12)I)C(C)(C)O)Cl | 3 |
Cl.[NH2:2][CH2:3][C:4]1[CH:5]=[C:6]2[C:10](=[CH:11][CH:12]=1)[C:9](=[O:13])[N:8]([CH:14]1[CH2:19][CH2:18][C:17](=[O:20])[NH:16][C:15]1=[O:21])[CH2:7]2.[C:22]([N:26]=[C:27]=[O:28])([CH3:25])([CH3:24])[CH3:23].C(N(CC)CC)C.O>CN(C)C=O>[C:22]([NH:26][C:27]([NH:2][CH2:3][C:4]1[CH:5]=[C:6]2[C:10](=[CH:11][CH:12]=1)[C:9](=[O:13])[N:8]([CH:14]1[CH2:19][CH2:18][C:17](=[O:20])[NH:16][C:15]1=[O:21])[CH2:7]2)=[O:28])([CH3:25])([CH3:24])[CH3:23] | 1 |
C(C)(=O)OC(C)=O.NCCN1C(C(=C(C2=NC=C(C=C12)CC1=CC=C(C=C1)F)O)C(=O)NCC1OCCC1)=O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>C(C)(=O)NCCN1C(C(=C(C2=NC=C(C=C12)CC1=CC=C(C=C1)F)O)C(=O)NCC1OCCC1)=O | 3 |
C([O:3][C:4](=[O:21])/[CH:5]=[CH:6]/[C:7]1[CH:16]=[CH:15][CH:14]=[C:13]2[C:8]=1[CH2:9][CH2:10][N:11]([CH2:17][CH2:18][O:19][CH3:20])[CH2:12]2)C.[Li+].[OH-].Cl>C1COCC1>[CH3:20][O:19][CH2:18][CH2:17][N:11]1[CH2:10][CH2:9][C:8]2[C:13](=[CH:14][CH:15]=[CH:16][C:7]=2/[CH:6]=[CH:5]/[C:4]([OH:21])=[O:3])[CH2:12]1 | 2 |
[CH2:1]([NH:5][NH:6][C:7]([C@@H:9]1[CH2:13][C@@H:12]([S:14]CC2C=CC(OC)=CC=2)[CH2:11][N:10]1[S:24]([C:27]1[CH:36]=[CH:35][C:34]2[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=2)[CH:28]=1)(=[O:26])=[O:25])=[O:8])[CH:2]([CH3:4])[CH3:3].C([SiH](CC)CC)C>C(O)(C(F)(F)F)=O>[CH2:1]([NH:5][NH:6][C:7]([C@@H:9]1[CH2:13][C@@H:12]([SH:14])[CH2:11][N:10]1[S:24]([C:27]1[CH:36]=[CH:35][C:34]2[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=2)[CH:28]=1)(=[O:26])=[O:25])=[O:8])[CH:2]([CH3:4])[CH3:3] | 1 |
[NH2:1][C:2]1[CH:11]=[C:10]2[C:5]([CH:6]=[CH:7][C:8]([S:12]([NH:15][C:16]3[CH:17]=[CH:18][C:19]([Cl:26])=[C:20]([CH:25]=3)[C:21]([O:23][CH3:24])=[O:22])(=[O:14])=[O:13])=[CH:9]2)=[CH:4][CH:3]=1.[C:27](N1C=CN=C1)(N1C=CN=C1)=[S:28].C1COCC1>C(OCC)(=O)C>[Cl:26][C:19]1[CH:18]=[CH:17][C:16]([NH:15][S:12]([C:8]2[CH:7]=[CH:6][C:5]3[C:10](=[CH:11][C:2]([N:1]=[C:27]=[S:28])=[CH:3][CH:4]=3)[CH:9]=2)(=[O:14])=[O:13])=[CH:25][C:20]=1[C:21]([O:23][CH3:24])=[O:22] | 1 |
C(=O)(OC(C)(C)C)N[C@@H](CO)C(=O)O.FC1=C(C=C(C=C1)OC)[N+](=O)[O-]>N(C)(C)C=O.Cl.[H-].[Na+]>C(C)(C)(C)OC(=O)N[C@H](C(=O)O)COC1=C(C=C(C=C1)OC)[N+](=O)[O-] | 3 |
C[Si](C)(C)C=[N+]=[N-].BrC1=NN2C(N(C(=C(C2=O)N2CCN(CC2)C(=O)OC(C)(C)C)CC(=O)O)COCC[Si](C)(C)C)=N1>O.C1CCCO1.CO[H].ClCCl.C(O)([O-])=O.[Na+]>BrC1=NN2C(N(C(=C(C2=O)N2CCN(CC2)C(=O)OC(C)(C)C)CC(=O)OC)COCC[Si](C)(C)C)=N1 | 3 |
[CH3:1][NH:2]/[C:3](/[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)=[CH:4]\[C:5]([O:7][CH2:8][CH3:9])=[O:6].[Br:16][C:17]1[CH:23]=[CH:22]C(N)=[CH:19][C:18]=1[O:24][CH3:25].CC1C=CC(S([O-])(=O)=O)=CC=1.C1C=C[NH+]=CC=1>C(Cl)Cl>[Br:16][C:17]1[CH:23]=[CH:22][C:1]([NH:2]/[C:3](/[C:10]2[CH:11]=[CH:12][CH:13]=[CH:14][CH:15]=2)=[CH:4]\[C:5]([O:7][CH2:8][CH3:9])=[O:6])=[CH:19][C:18]=1[O:24][CH3:25] | 1 |
[C:1]([C:5]1[CH:9]=[C:8]([NH:10][C:11]([NH:13][C:14]2[C:23]3[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=3)[C:17]([O:24][CH2:25][C:26]3[CH:31]=[CH:30][N:29]=[C:28]([NH:32][C:33]4[CH:38]=[N:37][CH:36]=[C:35]([CH2:39][CH3:40])[N:34]=4)[CH:27]=3)=[CH:16][CH:15]=2)=[O:12])[N:7]([C:41]2[CH:46]=[CH:45][C:44]([CH3:47])=[CH:43][CH:42]=2)[N:6]=1)([CH3:4])([CH3:3])[CH3:2].[C:48]([OH:55])(=[O:54])/[CH:49]=[CH:50]\[C:51]([OH:53])=[O:52]>C1COCC1>[C:48]([OH:55])(=[O:54])/[CH:49]=[CH:50]\[C:51]([OH:53])=[O:52].[C:1]([C:5]1[CH:9]=[C:8]([NH:10][C:11]([NH:13][C:14]2[C:23]3[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=3)[C:17]([O:24][CH2:25][C:26]3[CH:31]=[CH:30][N:29]=[C:28]([NH:32][C:33]4[CH:38]=[N:37][CH:36]=[C:35]([CH2:39][CH3:40])[N:34]=4)[CH:27]=3)=[CH:16][CH:15]=2)=[O:12])[N:7]([C:41]2[CH:42]=[CH:43][C:44]([CH3:47])=[CH:45][CH:46]=2)[N:6]=1)([CH3:4])([CH3:2])[CH3:3] | 1 |
BrC=1C=C2C(=NC1)NN=C2N.BrC1=CC=C(C=C1)S(=O)(=O)N1C[C@@H]([C@@H](CC1)NC1=NC=C(C=C1)C(F)(F)F)O>C([O-])([O-])=O.[K+].[K+].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]>NC1=NNC2=NC=C(C=C21)C2=CC=C(C=C2)S(=O)(=O)N2C[C@@H]([C@@H](CC2)NC2=NC=C(C=C2)C(F)(F)F)O | 3 |
CN(S(=O)(=O)Cl)C.NC(=O)N.C=C>>CN(S(=O)(=O)N1C(NCC1)=O)C | 3 |
NC1=CC2=C(OCCOCCOCCO2)C=C1C(C)=O>Cl.C[O-].[Na+].COCCOC>N1C=CC(C=2C=C3C(=CC12)OCCOCCOCCO3)=O | 3 |
C(C)(=O)Cl.[Si](C)(C)(C(C)(C)C)OCC1CC(=CC(O1)=O)O>ClCCl.c1ccncc1>C(C)(=O)OC1=CC(OC(C1)CO[Si](C)(C)C(C)(C)C)=O | 3 |
COCCN.FC1=C(C=C(C(=O)O)C=C1)[N+](=O)[O-]>>FC1=C(C=C(C(=O)NCCOC)C=C1)[N+](=O)[O-] | 5 |
OC=1C(=CC2=C(C(=NCC(N2)=O)C=2C=C(C#N)C=CC2)C1)OC>>BrC1=C(C(=CC2=C1C(=NCC(N2)=O)C=2C=C(C#N)C=CC2)OC)O | 5 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([F:20])=[C:6]([CH:19]=1)[C:7]([NH:9][C:10]1[C:11]([C:16]([NH2:18])=[O:17])=[N:12][CH:13]=[CH:14][N:15]=1)=O.[OH-].[K+].CC(O)=O>O.CS(C)=O>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([F:20])=[C:6]([C:7]2[NH:18][C:16](=[O:17])[C:11]3[C:10](=[N:15][CH:14]=[CH:13][N:12]=3)[N:9]=2)[CH:19]=1 | 1 |
CC1=CC=C(C=C1)S(=O)(=O)N(C)N=O.C(CO)O.CCOCC.N1C=NC2=C1C=C(C=C2)N2C(C(=C(C2C2=CC=C(C=C2)C2CCC(CC2)(F)F)C)O)=O>>N1C=NC2=C1C=C(C=C2)N2C(C(=C(C2C2=CC=C(C=C2)C2CCC(CC2)(F)F)C)OC)=O | 5 |
Br[C:2]1[S:6][C:5]([NH:7][C:8]([NH:10][C:11]2[CH:16]=[CH:15][C:14]([CH3:17])=[CH:13][C:12]=2[C:18]([CH:20]2[CH2:24][CH2:23][CH2:22][CH2:21]2)=[O:19])=[O:9])=[N:4][CH:3]=1.[CH3:25][N:26]1[C:30]([SH:31])=[N:29][N:28]=[N:27]1>>[CH:20]1([C:18]([C:12]2[CH:13]=[C:14]([CH3:17])[CH:15]=[CH:16][C:11]=2[NH:10][C:8]([NH:7][C:5]2[S:6][C:2]([S:31][C:30]3[N:26]([CH3:25])[N:27]=[N:28][N:29]=3)=[CH:3][N:4]=2)=[O:9])=[O:19])[CH2:24][CH2:23][CH2:22][CH2:21]1 | 1 |
[F:1][C:2]([F:20])([F:19])[C:3](O)=[CH:4][C:5]([C:7]1[CH:17]=[CH:16][C:10]2[O:11][CH2:12][C:13](=[O:15])[NH:14][C:9]=2[CH:8]=1)=O.[F:21][C:22]([F:32])([F:31])[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=1[NH:29][NH2:30]>C(N(CC)CC)C>[F:1][C:2]([F:20])([F:19])[C:3]1[CH:4]=[C:5]([C:7]2[CH:17]=[CH:16][C:10]3[O:11][CH2:12][C:13](=[O:15])[NH:14][C:9]=3[CH:8]=2)[N:29]([C:24]2[CH:25]=[CH:26][CH:27]=[CH:28][C:23]=2[C:22]([F:21])([F:32])[F:31])[N:30]=1 | 2 |
[CH3:1][C:2]([Si:5]([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[O:6][CH2:7][CH:8]([OH:14])[CH:9]([OH:13])[CH2:10][CH:11]=[CH2:12])([CH3:4])[CH3:3].C(=O)(O)[O-].[Na+].[I:32]I>C(OCC)C.O>[CH3:4][C:2]([Si:5]([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[O:6][CH2:7][C@H:8]1[O:14][C@H:11]([CH2:12][I:32])[CH2:10][C@H:9]1[OH:13])([CH3:1])[CH3:3] | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][NH:9][C:10]([C:12]2[CH:13]=[N:14][C:15]3[C:20]([C:21]=2[OH:22])=[CH:19][C:18](I)=[CH:17][C:16]=3[F:24])=[O:11])=[CH:4][CH:3]=1.C1(P(C2C=CC=CC=2)CCCP(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[CH3:54][N:55]([CH:57]=[O:58])[CH3:56].N1C[CH2:63][O:62][CH2:61]C1>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C(N(CC)CC)C>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][NH:9][C:10]([C:12]2[CH:13]=[N:14][C:15]3[C:20]([C:21]=2[OH:22])=[CH:19][C:18]([C:57]([N:55]2[CH2:56][CH2:63][O:62][CH2:61][CH2:54]2)=[O:58])=[CH:17][C:16]=3[F:24])=[O:11])=[CH:4][CH:3]=1 | 1 |
N(=[N+]=[N-])C1CC(CC1)=O>>N(=[N+]=[N-])C1CC(CC1)O | 5 |
C1CS(=O)(=O)CC1S(=O)(=O)Cl>>S1(CC(CC1)S(=O)(=O)N)(=O)=O | 5 |
CC[N+](S(N=C(OC)[O-])(=O)=O)(CC)CC.[CH3:16][O:17][C:18](=[O:35])[C@H:19]([C@@H:32]([CH3:34])[OH:33])[NH:20][C:21](=O)[C:22]1[CH:27]=[CH:26][C:25]([N+:28]([O-:30])=[O:29])=[CH:24][CH:23]=1>C1COCC1>[CH3:34][CH:32]1[O:33][C:21]([C:22]2[CH:27]=[CH:26][C:25]([N+:28]([O-:30])=[O:29])=[CH:24][CH:23]=2)=[N:20][CH:19]1[C:18]([O:17][CH3:16])=[O:35] | 1 |
FC(C(=C)Br)(F)F.ClC=1C(=C(C=C(C1F)Cl)B1OC(C(O1)(C)C)(C)C)F>O.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].C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=C(C(=C(C(=C1)C(=C)C(F)(F)F)F)Cl)F | 3 |
COC[C@@H]1NCCC1.ClC1=C(C(=O)NC(C=O)C2=CC=C(C=C2)S(=O)(=O)CCC)C=CC(=C1)Cl>>ClC1=C(C(=O)NC(CN2[C@H](CCC2)COC)C2=CC=C(C=C2)S(=O)(=O)CCC)C=CC(=C1)Cl | 5 |
C(C)(C)(C)OC(=O)N[C@H]([C@@H](CCl)O)CC1=CC=CC=C1.C(C(C)C)N>>C(C1=CC=CC=C1)[C@@H]([C@@H](CNCC(C)C)O)NC(OC(C)(C)C)=O | 5 |
ClCCN1CCOCC1.FC=1C(=C(C=CC1F)[C@H]1[C@@H](O[C@]([C@H]1C)(C(F)(F)F)C)C(=O)O)O>C([O-])([O-])=O.[K+].[K+].CC(=O)C.[I-].[Na+]>FC=1C(=C(C=CC1F)[C@H]1[C@@H](O[C@]([C@H]1C)(C(F)(F)F)C)C(=O)OCCN1CCOCC1)OCCN1CCOCC1 | 3 |
Br[C:2]1[N:7]=[C:6]([C:8]([O:10][CH3:11])=[O:9])[CH:5]=[CH:4][C:3]=1[F:12].[F:13][C:14]1[CH:15]=[C:16]([N:30]2[CH2:35][CH2:34][O:33][CH2:32][CH2:31]2)[CH:17]=[C:18]([F:29])[C:19]=1B1OC(C)(C)C(C)(C)O1>>[F:13][C:14]1[CH:15]=[C:16]([N:30]2[CH2:31][CH2:32][O:33][CH2:34][CH2:35]2)[CH:17]=[C:18]([F:29])[C:19]=1[C:2]1[N:7]=[C:6]([C:8]([O:10][CH3:11])=[O:9])[CH:5]=[CH:4][C:3]=1[F:12] | 2 |
[N:1]1[CH:6]=[CH:5][C:4]([C:7]2[N:12]=[CH:11][C:10]([C:13]([OH:15])=O)=[CH:9][N:8]=2)=[CH:3][CH:2]=1.O[N:17]1[C:21]2[CH:22]=[CH:23][CH:24]=[CH:25][C:20]=2N=N1.C1CCC(N=C=NC2CCCCC2)CC1.NC1C=CC=CC=1.C(O)C(N)(CO)CO>CN(C=O)C>[C:21]1([NH:17][C:13]([C:10]2[CH:11]=[N:12][C:7]([C:4]3[CH:3]=[CH:2][N:1]=[CH:6][CH:5]=3)=[N:8][CH:9]=2)=[O:15])[CH:22]=[CH:23][CH:24]=[CH:25][CH:20]=1 | 1 |
[N:1]1[C:5]2[C:6]3[C:11]([CH2:12][CH2:13][C:4]=2[S:3][C:2]=1[NH:14][C:15](=O)[CH2:16][CH3:17])=[CH:10][CH:9]=[CH:8][CH:7]=3.[H-].[Al+3].[Li+].[H-].[H-].[H-].O.O.O.O.O.O.O.O.O.O.[O-]S([O-])(=O)=O.[Na+].[Na+]>O1CCCC1>[CH2:15]([NH:14][C:2]1[S:3][C:4]2[CH2:13][CH2:12][C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[N:1]=1)[CH2:16][CH3:17] | 1 |
C(#N)C1=C(C=C(C=C1)B(O)O)F.ClC1=CC(=NC(=N1)NC)N1C[C@H](CC[C@H]1C(F)(F)F)C(=O)NC1CCCC1>>C(#N)C1=C(C=C(C=C1)C1=CC(=NC(=N1)NC)N1C[C@H](CC[C@H]1C(F)(F)F)C(=O)NC1CCCC1)F | 5 |
C(C)(=O)NC=1N=NN(C1)C1CN(CC1)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>N1CC(CC1)N1N=NC(=C1)NC(C)=O | 3 |
C([O:3][P:4]([CH2:9][O:10][CH2:11][CH:12]([NH:16]C(OCC1C2C=CC=CC=2C2C1=CC=CC=2)=O)[C:13](O)=[O:14])([O:6]CC)=[O:5])C.[C:34]([CH:37]([NH:49][C:50]([CH:52]1[CH2:57][CH2:56][CH2:55][CH2:54][NH:53]1)=[O:51])[CH2:38][C:39]1[CH:48]=[CH:47][C:46]2[C:41](=[CH:42][CH:43]=[CH:44][CH:45]=2)[CH:40]=1)(=[O:36])[NH2:35].[S:58]1[CH:62]=[C:61]([CH2:63][CH:64]([NH:68][C:69]([O:71]CC2C3C=CC=CC=3C3C2=CC=CC=3)=O)[C:65]([OH:67])=O)[C:60]2[CH:86]=[CH:87][CH:88]=[CH:89][C:59]1=2.[CH2:90](OP(=O)OCC)C>>[C:69]([NH:68][CH:64]([CH2:63][C:61]1[C:60]2[CH:86]=[CH:87][CH:88]=[CH:89][C:59]=2[S:58][CH:62]=1)[C:65]([NH:16][CH:12]([C:13]([N:53]1[CH2:54][CH2:55][CH2:56][CH2:57][CH:52]1[C:50](=[O:51])[NH:49][CH:37]([C:34](=[O:36])[NH2:35])[CH2:38][C:39]1[CH:48]=[CH:47][C:46]2[C:41](=[CH:42][CH:43]=[CH:44][CH:45]=2)[CH:40]=1)=[O:14])[CH2:11][O:10][CH2:9][P:4](=[O:3])([OH:6])[OH:5])=[O:67])(=[O:71])[CH3:90] | 2 |
C(C=C)Br.[C@@H]1([C@H](O)[C@H](O)[C@@H](CO)O1)N1C=NC=2C(N)=NC=NC12>N(C)(C)C=O.[H-].[Na+].O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3>C(C=C)O[C@H]1[C@H]([C@@H](O[C@@H]1CO)N1C=NC=2C(N)=NC=NC12)O | 3 |
N1(CCCC1)C1CCN(CC1)C(=O)C1=C(C=C(C=C1)C(=O)N1CCC(CC1)N1CCCC1)NC1=CC=C(C(=O)OC(C)(C)C)C=C1>Cl>N1(CCCC1)C1CCN(CC1)C(=O)C1=C(C=C(C=C1)C(=O)N1CCC(CC1)N1CCCC1)NC1=CC=C(C(=O)O)C=C1 | 3 |
[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([CH:25]=[C:26]([O:29][CH2:30][CH3:31])[C:27]=1[F:28])[CH2:7][N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]2[O:16][C:17]3[C:18](=[C:20]([NH2:24])[CH:21]=[CH:22][CH:23]=3)[N:19]=2)[CH2:10][CH2:9]1)[CH3:2].[NH:32]1[C:36]([CH2:37][C:38](O)=[O:39])=[N:35][N:34]=[N:33]1.C(N(C(C)C)C(C)C)C.O=C1N(P(Cl)(N2CCOC2=O)=O)CCO1>C(Cl)Cl>[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([CH:25]=[C:26]([O:29][CH2:30][CH3:31])[C:27]=1[F:28])[CH2:7][N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]2[O:16][C:17]3[CH:23]=[CH:22][CH:21]=[C:20]([NH:24][C:38](=[O:39])[CH2:37][C:36]4[NH:35][N:34]=[N:33][N:32]=4)[C:18]=3[N:19]=2)[CH2:10][CH2:9]1)[CH3:2] | 2 |
ClC=1C=C2C(=NC1)[C@]1([C@@](O2)([C@@H]([C@H]([C@H]1O)C(=O)OC)C1=CC=CC=C1)C1=CC=C(C=C1)Cl)O>O.C1CCCO1.CO[H].[OH-].[Li+]>ClC=1C=C2C(=NC1)[C@]1([C@@](O2)([C@@H]([C@H]([C@H]1O)C(=O)O)C1=CC=CC=C1)C1=CC=C(C=C1)Cl)O | 3 |
C(C1=CC=CC=C1)OC=1C=C2CCN(C(C2=CC1)(C1=CC=C(C=C1)Br)C(C(=O)O)(F)F)CC(C)(C)F>CN1C(CCC1)=O.[F-].[Cs+]>C(C1=CC=CC=C1)OC=1C=C2CCN(C(C2=CC1)(C(F)F)C1=CC=C(C=C1)Br)CC(C)(C)F | 3 |
CC1=C(C2=C(N=CN=C2N)S1)C1=CC=C(C=C1)[N+](=O)[O-]>O.C1CCCO1.[Fe].CCO[H].[Cl-].[NH4+]>NC1=CC=C(C=C1)C1=C(SC=2N=CN=C(C21)N)C | 3 |
C(C)=O.ClC=1C=CC(=C2N3C(=NC21)N(CCCC3)C3=C(C=C(C=C3)Cl)Cl)N>CO[H].C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>ClC=1C=CC(=C2N3C(=NC21)N(CCCC3)C3=C(C=C(C=C3)Cl)Cl)N(CC)CC | 3 |
C/C=1/C(=O)OC(\C1\C)=O.NCCC12C=CC(CC1)C2>>NCCCC12C=CC(CC1)C2 | 5 |
[ClH:1].[N:2]1([CH2:8][CH2:9][CH2:10][O:11][C:12]2[CH:20]=[CH:19][C:15]([C:16]([OH:18])=O)=[CH:14][CH:13]=2)[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3]1.[F:21][C:22]1[CH:23]=[C:24]2[C:28](=[CH:29][CH:30]=1)[NH:27][C:26]([CH3:31])=[CH:25]2>>[ClH:1].[F:21][C:22]1[CH:23]=[C:24]2[C:28](=[CH:29][CH:30]=1)[N:27]([C:16](=[O:18])[C:15]1[CH:14]=[CH:13][C:12]([O:11][CH2:10][CH2:9][CH2:8][N:2]3[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]3)=[CH:20][CH:19]=1)[C:26]([CH3:31])=[CH:25]2 | 1 |
[Br:1][C:2]1[CH:10]=[CH:9][C:5]([CH2:6][CH2:7][OH:8])=[CH:4][CH:3]=1.C(N(CC)C(C)C)(C)C.[CH2:20]([N:22]=[C:23]=[O:24])[CH3:21]>ClCCl>[CH2:20]([NH:22][C:23]([O:8][CH2:7][CH2:6][C:5]1[CH:9]=[CH:10][C:2]([Br:1])=[CH:3][CH:4]=1)=[O:24])[CH3:21] | 2 |
[CH:1]1([N:7]2[CH2:13][C:12]([F:15])([F:14])[C:11](=[O:16])[N:10]([CH3:17])[C:9]3[CH:18]=[N:19][C:20]([NH:22][C:23]4[CH:31]=[CH:30][C:26]([C:27](O)=[O:28])=[CH:25][C:24]=4[O:32][CH3:33])=[N:21][C:8]2=3)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.CN(C(ON1N=[N:49][C:44]2C=C[CH:47]=[N:48][C:43]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C(N1CC(N)C1)(OC(C)(C)C)=O>>[NH:48]1[CH2:43][CH:44]([NH:49][C:27](=[O:28])[C:26]2[CH:30]=[CH:31][C:23]([NH:22][C:20]3[N:19]=[CH:18][C:9]4[N:10]([CH3:17])[C:11](=[O:16])[C:12]([F:14])([F:15])[CH2:13][N:7]([CH:1]5[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]5)[C:8]=4[N:21]=3)=[C:24]([O:32][CH3:33])[CH:25]=2)[CH2:47]1 | 1 |
C(C)(C)(C)OC(N(C)C)N(C)C.C(C)(C)(C)OC(NC[C@H]1CN(C(O1)=O)C=1C=CC2=C(CCCCC2=O)C1)=O>>C(C)(C)(C)OC(NC[C@H]1CN(C(O1)=O)C=1C=CC2=C(CCCC(C2=O)=CN(C)C)C1)=O | 3 |
Br[C:2]1[CH:3]=[N:4][C:5]([N:8]2[CH2:13][CH2:12][O:11][CH2:10][CH2:9]2)=[N:6][CH:7]=1.[I-:14].[Na+].CNCCNC>O1CCOCC1.[Cu](I)I>[I:14][C:2]1[CH:3]=[N:4][C:5]([N:8]2[CH2:13][CH2:12][O:11][CH2:10][CH2:9]2)=[N:6][CH:7]=1 | 2 |
[C:1]([Cu])#[N:2].[C-]#N.[K+].C(OC([N:14]1[CH2:24][CH:23]2[CH2:25][CH2:26][CH:16]([C:17]3[CH:18]=[CH:19][C:20](I)=[CH:21][C:22]=32)[CH2:15]1)=O)(C)(C)C>CN(C=O)C.[Na+].[Cl-]>[CH:23]12[CH2:25][CH2:26][CH:16]([CH2:15][NH:14][CH2:24]1)[C:17]1[C:22]2=[CH:21][C:20]([C:1]#[N:2])=[CH:19][CH:18]=1 | 2 |
C(=C)C(C(C=C)(F)F)(F)F>ClCCl.Cl[SiH](Cl)Cl.O.Cl.Cl.Cl[Pt](Cl)(Cl)Cl>Cl[Si](CCC(C(CC[Si](Cl)(Cl)Cl)(F)F)(F)F)(Cl)Cl | 3 |
[CH3:1][O:2][C:3]([C:5]1[CH:10]=[CH:9][N:8]2[C:11](Br)=[CH:12][N:13]=[C:7]2[CH:6]=1)=[O:4].CC1(C)C(C)(C)OB([C:23]2[CH:24]=[C:25]([C:29]3[CH:33]=[CH:32][S:31][C:30]=3[C:34]#[N:35])[CH:26]=[CH:27][CH:28]=2)O1.C(=O)([O-])[O-].[Na+].[Na+]>COCCOC.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[NH3:8].[CH3:1][O:2][C:3]([C:5]1[CH:10]=[CH:9][N:8]2[C:11]([C:27]3[CH:28]=[CH:23][CH:24]=[C:25]([C:29]4[CH:33]=[CH:32][S:31][C:30]=4[C:34]#[N:35])[CH:26]=3)=[CH:12][N:13]=[C:7]2[CH:6]=1)=[O:4] | 1 |
BrC=1C(N(N=C(C1)Cl)C)=O.CN1CC2CCC(C1)N2C=2C=CC(=NC2)N>O1CCOCC1.[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.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC=1C=C(C(N(N1)C)=O)NC1=NC=C(C=C1)N1[C@H]2CN(C[C@@H]1CC2)C | 3 |
[C:1]([NH:4][C:5]1[CH:10]=[CH:9][C:8]([S:11][CH2:12][CH2:13][CH3:14])=[CH:7][C:6]=1[N+:15]([O-:17])=[O:16])(=[O:3])[CH3:2].C(Cl)(Cl)Cl.C(OO)(=[O:24])C>CO>[C:1]([NH:4][C:5]1[CH:10]=[CH:9][C:8]([S:11]([CH2:12][CH2:13][CH3:14])=[O:24])=[CH:7][C:6]=1[N+:15]([O-:17])=[O:16])(=[O:3])[CH3:2] | 1 |
C([CH2:5][CH2:6][C@@:7](O[SiH](C)C)([N:9]1[CH:13]=[C:12]([C:14]2[CH:15]=[N:16][CH:17]=[CH:18][CH:19]=2)[N:11]=[CH:10]1)[CH3:8])(C)(C)C.[F-].C([N+](CCCC)(CCCC)CCCC)CCC.Cl.C([O:46]C(C)C)(C)C>O1CCCC1.C(O)C>[OH:46][CH2:5][CH2:6][C@H:7]([N:9]1[CH:13]=[C:12]([C:14]2[CH:15]=[N:16][CH:17]=[CH:18][CH:19]=2)[N:11]=[CH:10]1)[CH3:8] | 1 |
C1(CCCC1)C[C@@H](C(=O)O)C1=CC=C(C=C1)S(=O)(=O)C.NC=1SC=C(N1)C>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.Cl.BrN1C(CCC1=O)=O.C(C)(=O)OCC>C1(CCCC1)C[C@@H](C(=O)NC=1SC=C(N1)C)C1=CC=C(C=C1)S(=O)(=O)C | 3 |
BrCC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(=N1)C(Cl)(Cl)Cl.COC1=NC(=NC(=C1)OC)N1C(NC2=C(C1=O)C=C(S2)CC)=O>>COC1=NC(=NC(=C1)OC)N1C(N(C2=C(C1=O)C=C(S2)CC)CC2=CC=C(C=C2)C2=C(C=CC=C2)C2=NOC(N2)=O)=O | 5 |
C([O-])(=[O:3])C.[C:5]1([Sn+:11]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1.[Sn]>>[OH-:3].[C:18]1([Sn+:11]([C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=1 | 1 |
ClC=1C=NC=C(C1)[C@@H]1NC[C@H](CC1)C.C(C)(C)(C)OC(=O)NC1=C(C=C(C=N1)NC(C(=O)O)=O)C>CS(=O)C.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC=1C=C(C=NC1)[C@@H]1N(C[C@H](CC1)C)C(C(=O)NC=1C=C(C(=NC1)NC(OC(C)(C)C)=O)C)=O | 3 |
Br[C:2]1[CH:10]=[C:9]2[C:5]([C:6]([S:19]([C:22]3[CH:27]=[CH:26][C:25]([F:28])=[CH:24][CH:23]=3)(=[O:21])=[O:20])=[N:7][N:8]2[CH2:11][O:12][CH2:13][CH2:14][Si:15]([CH3:18])([CH3:17])[CH3:16])=[CH:4][CH:3]=1.[CH:29]1([NH:32][C:33](=[O:50])[C:34]2[CH:39]=[CH:38][C:37]([CH3:40])=[C:36](B3OC(C)(C)C(C)(C)O3)[CH:35]=2)[CH2:31][CH2:30]1.C(=O)([O-])[O-].[Na+].[Na+]>COCCOC.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[CH:29]1([NH:32][C:33](=[O:50])[C:34]2[CH:39]=[CH:38][C:37]([CH3:40])=[C:36]([C:2]3[CH:10]=[C:9]4[C:5]([C:6]([S:19]([C:22]5[CH:27]=[CH:26][C:25]([F:28])=[CH:24][CH:23]=5)(=[O:21])=[O:20])=[N:7][N:8]4[CH2:11][O:12][CH2:13][CH2:14][Si:15]([CH3:18])([CH3:16])[CH3:17])=[CH:4][CH:3]=3)[CH:35]=2)[CH2:30][CH2:31]1 | 1 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][N:9]2[C:13]3[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=3[N:11]=[C:10]2[NH:18][CH:19]2[CH2:24][CH2:23][N:22]([CH2:25][CH2:26][C:27](=[O:29])[CH3:28])[CH2:21][CH2:20]2)=[CH:4][CH:3]=1.[BrH:30].BrBr>C(O)(=O)C>[BrH:30].[BrH:30].[Br:30][CH2:28][C:27](=[O:29])[CH2:26][CH2:25][N:22]1[CH2:23][CH2:24][CH:19]([NH:18][C:10]2[N:9]([CH2:8][C:5]3[CH:6]=[CH:7][C:2]([F:1])=[CH:3][CH:4]=3)[C:13]3[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=3[N:11]=2)[CH2:20][CH2:21]1 | 1 |
C[C@@H]1NCCNC1.ClC=1N(C2=NC(=NC(=C2N1)N1CCOCC1)C=1C=NC(=NC1)N)CC1CC1>CS(=O)C>C1(CC1)CN1C2=NC(=NC(=C2N=C1N1C[C@@H](NCC1)C)N1CCOCC1)C=1C=NC(=NC1)N | 3 |
C12(CC3CC(CC(C1)C3)C2)C=2C=C(NC(C(F)(F)F)=O)C=CC2OC>O.CO[H].[OH-].[K+]>C12(CC3CC(CC(C1)C3)C2)C=2C=C(N)C=CC2OC | 3 |
C([O:5][C:6](=[O:49])[C:7]1[CH:12]=[CH:11][CH:10]=[C:9]([CH2:13][CH:14]([NH:28][C:29](=[O:46])[CH2:30][N:31]2[CH2:36][CH2:35][CH2:34][CH:33]([CH2:37][NH:38]C(OC(C)(C)C)=O)[CH2:32]2)[B:15]2[O:23]C3C(C)(C4CC(C3)C4(C)C)[O:16]2)[C:8]=1OC)(C)(C)C.B(Cl)(Cl)Cl>>[NH2:38][CH2:37][CH:33]1[CH2:34][CH2:35][CH2:36][N:31]([CH2:30][C:29]([NH:28][CH:14]2[CH2:13][C:9]3[CH:10]=[CH:11][CH:12]=[C:7]([C:6]([OH:5])=[O:49])[C:8]=3[O:23][B:15]2[OH:16])=[O:46])[CH2:32]1 | 2 |
[Cl:1][C:2]1[N:7]=[C:6]([C:8]([NH2:10])=O)[CH:5]=[CH:4][C:3]=1[O:11][CH2:12][O:13][CH3:14].CC[N+](S(N=C(OC)[O-])(=O)=O)(CC)CC>C(Cl)Cl.C([O-])(O)=O.[Na+]>[Cl:1][C:2]1[N:7]=[C:6]([C:8]#[N:10])[CH:5]=[CH:4][C:3]=1[O:11][CH2:12][O:13][CH3:14] | 2 |
Cl[C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8]([C:11]([F:14])([F:13])[F:12])=[N:9][N:10]=2)[N:7]=1.[N:15]1[CH:20]=[CH:19][CH:18]=[C:17]([C:21]2([OH:27])[CH2:26][CH2:25][NH:24][CH2:23][CH2:22]2)[CH:16]=1.C(N(C(C)C)C(C)C)C>CN(C=O)C.O>[N:15]1[CH:20]=[CH:19][CH:18]=[C:17]([C:21]2([OH:27])[CH2:22][CH2:23][N:24]([C:2]3[CH:3]=[CH:4][C:5]4[N:6]([C:8]([C:11]([F:14])([F:13])[F:12])=[N:9][N:10]=4)[N:7]=3)[CH2:25][CH2:26]2)[CH:16]=1 | 1 |
C(CC(=O)C)(=O)OCC.C(C1=CC=CC=C1)OC=1C=C(C=CC1Br)N>>C(C)OC(C=C(C)NC1=CC(=C(C=C1)Br)OCC1=CC=CC=C1)=O | 5 |
OC=1C=C(C(=O)OC)C=CC1.ClC=1C=CC(=NC1)Br>>ClC=1C=CC(=NC1)OC=1C=C(C(=O)O)C=CC1 | 5 |
FC=1C=C(COC2=CC=C(C=O)C=C2)C=CC1>C1CCCO1.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>FC=1C=C(COC2=CC=C(C=C2)CO)C=CC1 | 3 |
C(C1=CC=CC=C1)OC=1C(=NC(=NC1O)CC1(CCCC1)C1=CC=CC=C1)C(=O)O.[Si](C)(C)(C(C)(C)C)OCCNC1CCOCC1>>[Si](C)(C)(C(C)(C)C)OCCN(C(=O)C1=NC(=NC(=C1OCC1=CC=CC=C1)O)CC1(CCCC1)C1=CC=CC=C1)C1CCOCC1 | 5 |
CN(C1CCCC=2C=CC=NC12)CC=1N=C2N(C=CC=C2)C1C(=O)O>N(C)(C)C=O.ClCCl.C(=O)(C(F)(F)F)O.CN(CCN)C.Cl.CN(CCCN=C=NCC)C.O.ON1N=NC2=C1C=CC=C2>CN(CCNC(=O)C1=C(N=C2N1C=CC=C2)CN(C2CCCC=1C=CC=NC21)C)C | 3 |
[CH3:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]([CH:16]2[CH2:21][CH2:20][N:19]([CH2:22][CH2:23][C:24]3([CH2:30][CH2:31][C:32](C(OCC)=O)([C:38]([O:40]CC)=[O:39])[C:33]([O:35]CC)=[O:34])[CH2:29][CH2:28][CH2:27][CH2:26][CH2:25]3)[CH2:18][CH2:17]2)[C:9]([C:11]2[O:12][CH:13]=[CH:14][CH:15]=2)=[O:10])=[N:6][CH:7]=1.[OH-].[Li+]>O1CCOCC1.O>[CH3:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]([CH:16]2[CH2:21][CH2:20][N:19]([CH2:22][CH2:23][C:24]3([CH2:30][CH2:31][CH:32]([C:33]([OH:35])=[O:34])[C:38]([OH:40])=[O:39])[CH2:29][CH2:28][CH2:27][CH2:26][CH2:25]3)[CH2:18][CH2:17]2)[C:9]([C:11]2[O:12][CH:13]=[CH:14][CH:15]=2)=[O:10])=[N:6][CH:7]=1 | 1 |
NC1=NC=CC2=C(C=CC=C12)C=1C=C2C(=NN(C2=C(C1)C#N)C1OCCCC1)COC1=C(C=CC=C1)CC(=O)OCC>O.C(C)(C)O.[OH-].[Ba+2].[OH-]>NC1=NC=CC2=C(C=CC=C12)C=1C=C2C(=NN(C2=C(C1)C(N)=O)C1OCCCC1)COC1=C(C=CC=C1)CC(=O)O | 3 |
C(#N)CC[C@@H]1CCCC=2SC=3N=CN=C(C3C12)OC1CCC(CC1)NC(OC(C)(C)C)=O>O(O[H])[H].CO[H].O[Li].O>C(N)(=O)CC[C@@H]1CCCC=2SC=3N=CN=C(C3C12)OC1CCC(CC1)NC(OC(C)(C)C)=O | 3 |
BrC1=CC=CC=C1.C1(=CC=C(C=C1)[Mg]Br)C>C1CCCO1.CN(CCN(C)C)C.[Fe](Cl)(Cl)Cl>C1(CCCCC1)C1=CC=C(C=C1)C | 3 |
FC(F)(F)C([N:5]([C:22]1[CH:23]=[C:24]([C:27](Cl)=[O:28])[S:25][CH:26]=1)[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])=O.C(N(CC)CC)C.[C:39]([O:50][CH2:51][CH3:52])(=[O:49])[CH:40]([CH:42]([C:44]([O:46][CH2:47][CH3:48])=[O:45])[OH:43])[OH:41]>CCOCC>[CH2:6]([NH:5][C:22]1[CH:23]=[C:24]([C:27]([O:41][CH:40]([CH:42]([C:44]([O:46][CH2:47][CH3:48])=[O:45])[OH:43])[C:39]([O:50][CH2:51][CH3:52])=[O:49])=[O:28])[S:25][CH:26]=1)[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21] | 1 |
NC1=NC(=CC=C1)N.BrC=1C(=NC(=NC1)Cl)Cl>C(C)(C)O.C(C)(C)N(C(C)C)CC>BrC=1C(=NC(=NC1)Cl)NNC1=NC(=CC=C1)N | 3 |
[Cl:1][C:2]1[N:7]=[C:6]([NH:8][C:9]2[C:13]([CH3:14])=[C:12]([CH3:15])[N:11]([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[N:10]=2)[CH:5]=[CH:4][N:3]=1.[C:23](=O)([O-])[O-].[K+].[K+].IC>CN(C)C=O>[Cl:1][C:2]1[N:7]=[C:6]([N:8]([CH3:23])[C:9]2[C:13]([CH3:14])=[C:12]([CH3:15])[N:11]([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[N:10]=2)[CH:5]=[CH:4][N:3]=1 | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:8][C:9]([OH:11])=O.C(Cl)(=O)C(Cl)=O.[NH2:18][C:19](=[N:25]O)[C:20]([O:22][CH2:23][CH3:24])=[O:21].C(N(CC)C(C)C)(C)C>ClCCl.N1C=CC=CC=1.CN(C=O)C>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:8][C:9]1[O:11][N:25]=[C:19]([C:20]([O:22][CH2:23][CH3:24])=[O:21])[N:18]=1 | 1 |
[OH:1][CH2:2][C@H:3]([CH3:31])[O:4][C:5]1[CH:6]=[C:7]([CH:20]=[C:21]([C:23]([NH:25][C:26]2[CH:30]=[CH:29][NH:28][N:27]=2)=[O:24])[CH:22]=1)[O:8][C:9]1[CH:19]=[CH:18][C:12]([C:13]([O:15]CC)=[O:14])=[CH:11][CH:10]=1.[OH-].[Na+]>C1COCC1.O>[OH:1][CH2:2][C@H:3]([CH3:31])[O:4][C:5]1[CH:6]=[C:7]([CH:20]=[C:21]([C:23]([NH:25][C:26]2[CH:30]=[CH:29][NH:28][N:27]=2)=[O:24])[CH:22]=1)[O:8][C:9]1[CH:10]=[CH:11][C:12]([C:13]([OH:15])=[O:14])=[CH:18][CH:19]=1 | 1 |
C([O:8][CH2:9][CH:10]1[C:16](=[O:17])[N:15]([CH2:18][C:19]([N:21]([CH:30]([CH3:32])[CH3:31])[C:22]2[CH:27]=[CH:26][C:25]([O:28][CH3:29])=[CH:24][CH:23]=2)=[O:20])[C:14]2[CH:33]=[CH:34][CH:35]=[CH:36][C:13]=2[N:12]([C:37]2[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=2)[C:11]1=[O:43])C1C=CC=CC=1>[Cl-].[Na+].O.C(OCC)(=O)C.[Pd]>[OH:8][CH2:9][CH:10]1[C:16](=[O:17])[N:15]([CH2:18][C:19]([N:21]([CH:30]([CH3:32])[CH3:31])[C:22]2[CH:27]=[CH:26][C:25]([O:28][CH3:29])=[CH:24][CH:23]=2)=[O:20])[C:14]2[CH:33]=[CH:34][CH:35]=[CH:36][C:13]=2[N:12]([C:37]2[CH:38]=[CH:39][CH:40]=[CH:41][CH:42]=2)[C:11]1=[O:43] | 1 |
ClC1=CC=C(C=C1)C(C(C(=O)N)(F)F)O>C1CCCO1.CO[H].Cl.CSC.B(F)(F)F>Cl.NCC(C(O)C1=CC=C(C=C1)Cl)(F)F | 3 |
C1C(CC2=CC=CC=C12)OC1=CC(=C(C=C1C=1C=C2C=NN(C2=CC1)C)CCC(=O)OC)OS(=O)(=O)C(F)(F)F>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C([O-])([O-])=O.[Na+].[Na+].CN(C(C)=O)C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[K+].[K+].[Fe+2]>C1C(CC2=CC=CC=C12)OC1=CC(=C(C=C1C=1C=C2C=NN(C2=CC1)C)CCC(=O)OC)C#N | 3 |
BrC=1C=C2C=CC(=CC2=CC1)O.ClCCOCCOCCF>>BrC1=CC2=CC=C(C=C2C=C1)OCCOCCOCCF | 5 |
[NH2:1][C:2]1[S:3][C:4]2[C:10]([C:11]#[N:12])=[C:9]([O:13][C:14]3[CH:15]=[CH:16][C:17]([F:34])=[C:18]([NH:20][C:21](=[O:33])[CH2:22][C:23]4[CH:28]=[CH:27][CH:26]=[C:25]([C:29]([F:32])([F:31])[F:30])[CH:24]=4)[CH:19]=3)[CH:8]=[CH:7][C:5]=2[N:6]=1.N1C=CC=CC=1.[CH:41]1([C:44](Cl)=[O:45])[CH2:43][CH2:42]1.O>CN(C)C(=O)C>[C:11]([C:10]1[C:4]2[S:3][C:2]([NH:1][C:44]([CH:41]3[CH2:43][CH2:42]3)=[O:45])=[N:6][C:5]=2[CH:7]=[CH:8][C:9]=1[O:13][C:14]1[CH:15]=[CH:16][C:17]([F:34])=[C:18]([NH:20][C:21](=[O:33])[CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[C:25]([C:29]([F:32])([F:30])[F:31])[CH:24]=2)[CH:19]=1)#[N:12] | 1 |
[CH:1]1[C:10]2[CH2:9][CH2:8][CH2:7][CH2:6][C:5]=2[CH:4]=[CH:3][N+:2]=1[O-].F[B-](F)(F)F.[CH3:17][O+:18](C)C.S(OOS([O-])(=O)=O)([O-])(=O)=O.[NH4+].[NH4+]>ClCCl.O>[OH:18][CH2:17][C:1]1[C:10]2[CH2:9][CH2:8][CH2:7][CH2:6][C:5]=2[CH:4]=[CH:3][N:2]=1 | 1 |
O1CCOC12CCC(CC2)SCC2=NC1=CC(=CC=C1C(N2COCC[Si](C)(C)C)=O)NC2=CC=CC=C2>>O=C1CCC(CC1)SCC1=NC2=CC(=CC=C2C(N1)=O)NC1=CC=CC=C1 | 5 |
[NH2:1][C:2]1[CH:7]=[C:6]([Cl:8])[C:5]([S:9][C:10]2[CH:11]=[C:12]([CH:17]([CH3:19])[CH3:18])[C:13](=[O:16])[NH:14][N:15]=2)=[C:4]([Cl:20])[CH:3]=1.N([O-])=O.[Na+].[C:25]([CH2:27][C:28]([NH:30][C:31]([O:33][CH2:34][CH3:35])=[O:32])=[O:29])#[N:26].[N:36]1C=CC=CC=1>O.Cl>[CH2:34]([O:33][C:31](=[O:32])[NH:30][C:28](=[O:29])[C:27]([C:25]#[N:26])=[N:36][NH:1][C:2]1[CH:3]=[C:4]([Cl:20])[C:5]([S:9][C:10]2[CH:11]=[C:12]([CH:17]([CH3:18])[CH3:19])[C:13](=[O:16])[NH:14][N:15]=2)=[C:6]([Cl:8])[CH:7]=1)[CH3:35] | 1 |
[N+](=O)([O-])C(C(O)C=1C=NC=CC1)CC>>NC(C(O)C=1C=NC=CC1)C | 5 |
BrCC(=O)OCC.BrC=1C=CC(=NC1)CO>>BrC=1C=CC(=NC1)COCC(=O)OC | 5 |
C1C=CC([C:7]([C:9]2[CH:14]=[CH:13][C:12]([OH:15])=[CH:11][C:10]=2[OH:16])=[O:8])=CC=1.C(O)[C@H]1[O:23][C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>[OH:16][C:10]1[CH:11]=[C:12]([OH:15])[CH:13]=[CH:14][C:9]=1[C:7]([OH:8])=[O:23] | 1 |
[H-].[Na+].[CH2:3]([C:6]1[C:7](Cl)=[N:8][C:9]([CH3:13])=[N:10][C:11]=1[Cl:12])[CH:4]=[CH2:5].[Cl:15][C:16]1[CH:22]=[C:21]([Cl:23])[CH:20]=[CH:19][C:17]=1[NH2:18].O>CN(C=O)C>[CH2:3]([C:6]1[C:11]([Cl:12])=[N:10][C:9]([CH3:13])=[N:8][C:7]=1[NH:18][C:17]1[CH:19]=[CH:20][C:21]([Cl:23])=[CH:22][C:16]=1[Cl:15])[CH:4]=[CH2:5] | 1 |
[N+:1]([C:4]1([CH2:10][CH2:11][C:12]2[S:13][C:14]3[CH2:23][C:22]4[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=4[C:15]=3[N:16]=2)[CH2:9][CH2:8][CH2:7][CH2:6][CH2:5]1)([O-])=O.O.S(=O)(=O)(O)O.Cl>CO.O.O.O.O.O.O.O.S([O-])([O-])(=O)=O.[Fe+2].[Fe]>[NH2:1][C:4]1([CH2:10][CH2:11][C:12]2[S:13][C:14]3[CH2:23][C:22]4[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=4[C:15]=3[N:16]=2)[CH2:9][CH2:8][CH2:7][CH2:6][CH2:5]1 | 1 |
[CH3:1][N:2]([CH3:11])[C:3]1[CH:10]=[CH:9][C:6]([C:7]#[N:8])=[CH:5][CH:4]=1.C(N(CC)CC)C.[SH2:19]>N1C=CC=CC=1>[CH3:1][N:2]([CH3:11])[C:3]1[CH:10]=[CH:9][C:6]([C:7]([NH2:8])=[S:19])=[CH:5][CH:4]=1 | 2 |
C(C#CC)C(COCC1=CC=CC=C1)(CC#CC)COCC1=CC=CC=C1>ClCCl.[HH].[B-](F)(F)(F)F.C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Rh+].C1(=CC=CC=C1)P(C1=C(C=2CCCCC2C=C1)C1=C(C=CC=2CCCCC12)P(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1>CC=1OC(C(=C2C1CC(C2)(COCC2=CC=CC=C2)COCC2=CC=CC=C2)C)=O | 3 |
ClS(=O)(=O)O.COC(CC1=CC(=CC=C1)Br)=O>C1CCCO1.N>BrC=1C=CC(=C(C1)CC(=O)OC)S(=O)(=O)Cl.BrC=1C=CC(=C(C1)CC(=O)OC)S(N)(=O)=O | 3 |
C1(CC1)B(O)O.C(C)(C)(C)OC(=O)C1=CC(=C(OCC2CC3CCC(C2)N3C(=O)OCC3=CC=CC=C3)C=C1F)Cl>>C(C)(C)(C)OC(=O)C1=CC(=C(OCC2CC3CCC(C2)N3C(=O)OCC3=CC=CC=C3)C=C1F)C1CC1 | 5 |
[NH2:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=O)=[CH:4][C:3]=1[Cl:11].CCN(C(C)C)C(C)C.Cl.CN(C)CCCN=C=NCC.ON1C2C=CC=CC=2N=N1.[NH2:43][C:44]1[S:45][CH:46]=[CH:47][N:48]=1>CN(C=O)C.ClCCCl.O>[NH2:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([NH:43][C:44]2[S:45][CH:46]=[CH:47][N:48]=2)=[O:8])=[CH:4][C:3]=1[Cl:11] | 1 |
[N+]([C:4]([C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)([CH2:7][OH:8])[CH2:5][OH:6])([O-])=O.[H][H]>[Pd].CO>[C:9]1([CH:4]([CH2:5][OH:6])[CH2:7][OH:8])[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1 | 1 |
CI.FC1=CC=C(C=C1)NC1(CCN(CC1)CC1=CC=CC=C1)C(=O)O>O.[H-].[Na+].CN(P(=O)(N(C)C)N(C)C)C>C(C(=O)O)(=O)O.FC1=CC=C(C=C1)NC1(CCN(CC1)CC1=CC=CC=C1)C(=O)OC | 3 |
ClCC(C(C(=O)OC)=CC1=C(C(=C(C=C1)C)F)F)=O>CO[H].[S-2].[Na+].[Na+]>FC1=C(C=CC(=C1F)C)C1SCC(C1C(=O)OC)=O | 3 |
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