smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C([O:4][CH2:5][C:6]1[CH:7]=[CH:8][CH:9]=[C:10]2[C:15]=1[CH2:14][N:13]([CH2:16][C:17]([F:20])([F:19])[F:18])[CH2:12][CH2:11]2)(=O)C.CO.C([O-])([O-])=O.[K+].[K+]>O>[F:20][C:17]([F:18])([F:19])[CH2:16][N:13]1[CH2:12][CH2:11][C:10]2[C:15](=[C:6]([CH2:5][OH:4])[CH:7]=[CH:8][CH:9]=2)[CH2:14]1 | 1 |
CC(C(=O)Cl)C.NC=1C=NC2=CC=CC=C2C1Cl>>ClC1=C(C=NC2=CC=CC=C12)NC(C(C)C)=O | 5 |
C(C)(C)(C)[Si](C)(C)Cl.C(C)(C)(C)OC(=O)N(C1=CC=C(C=C1)OCC)C1=C(C(=C(C=2N1N=CC2)C#N)O)CCO>c1cnc[nH]1.ClCCl>C(C)(C)(C)OC(=O)N(C1=CC=C(C=C1)OCC)C1=C(C(=C(C=2N1N=CC2)C#N)O)CCO[Si](C)(C)C(C)(C)C | 3 |
C1(P(C2CCCCC2)C2C=CC=CC=2C2C(OC(C)C)=CC=CC=2OC(C)C)CCCCC1.[Cl:34][C:35]1[CH:40]=[CH:39][C:38]([CH:41]2[CH2:47][CH2:46][NH:45][C:44](=[O:48])[C:43]3[S:49][C:50](I)=[CH:51][C:42]2=3)=[CH:37][CH:36]=1.[NH:53]1[CH2:58][CH2:57][O:56][C@H:55]([CH2:59][OH:60])[CH2:54]1.C[Si]([N-][Si](C)(C)C)(C)C.[Li+]>O1CCCC1>[Cl:34][C:35]1[CH:40]=[CH:39][C:38]([CH:41]2[CH2:47][CH2:46][NH:45][C:44](=[O:48])[C:43]3[S:49][C:50]([N:53]4[CH2:58][CH2:57][O:56][CH:55]([CH2:59][OH:60])[CH2:54]4)=[CH:51][C:42]2=3)=[CH:37][CH:36]=1 | 1 |
C(C(=C)C)(=O)OCCN(C)C.C(C(=C)C)(=O)NCCCCCCCCCCC(=O)O>>C(C(=C)C)(=O)NCCCCCCCCCCC(=O)O.C(C(=C)C)(=O)OCCN(C)C | 5 |
CS(=O)(=O)Cl.C(C)(C)(C)OC(=O)N1[C@@H](CNCC1)C>C1CCCO1.[OH-].[Na+]>C[C@H]1N(CCN(C1)S(=O)(=O)C)C(=O)OC(C)(C)C | 3 |
C(C=C)(=O)OC.C(C)(C)(C)OC(=O)N(C)CC=O>O.N12CCN(CC1)CC2>C(C)(C)(C)OC(=O)N(CC(C(C(=O)OC)=C)O)C | 3 |
N1=CC(=CC=C1)CO.COC(CC=1N=C(SC1)N)=O>>COC(CC=1N=C(SC1)NC(=O)OCC=1C=NC=CC1)=O | 5 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([CH2:14][N:15]([CH:18]2[CH2:27][CH2:26][C:25]3[C:20](=[CH:21][C:22]([NH2:28])=[CH:23][CH:24]=3)[CH2:19]2)[CH2:16][CH3:17])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH3:29][S:30]([C:33]1[CH:41]=[CH:40][C:36]([C:37](Cl)=[O:38])=[CH:35][CH:34]=1)(=[O:32])=[O:31]>CCOC(C)=O.C(=O)([O-])[O-].[K+].[K+]>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([CH2:14][N:15]([CH2:16][CH3:17])[CH:18]2[CH2:27][CH2:26][C:25]3[C:20](=[CH:21][C:22]([NH:28][C:37](=[O:38])[C:36]4[CH:35]=[CH:34][C:33]([S:30]([CH3:29])(=[O:32])=[O:31])=[CH:41][CH:40]=4)=[CH:23][CH:24]=3)[CH2:19]2)[CH2:10][CH2:9]1)=[O:7])([CH3:2])([CH3:3])[CH3:4] | 1 |
COC(C1=CC(=CC=C1)C1=NC=CC=C1)=O>>N1=C(C=CC=C1)C=1C=C(C(=O)O)C=CC1 | 5 |
CS(=O)(=O)Cl.NCC=1C=C(C=C(C(=O)OCC)C1)C(=O)OCC>>CS(=O)(=O)NCC=1C=C(C=C(C(=O)OCC)C1)C(=O)OCC | 5 |
BrCC1=C(C(=O)OC)C=C(C=C1)C1=NC(=NC=C1Cl)Cl.N[C@@H](C(=O)N[C@H](C)C1=CC(=CC=C1)C(F)(F)F)CO>CC#N.O.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC>ClC1=NC=C(C(=N1)C1=CC=C2CN(C(C2=C1)=O)[C@@H](C(=O)N[C@H](C)C1=CC(=CC=C1)C(F)(F)F)CO)Cl | 3 |
F[C:2]1[CH:7]=[C:6]([C:8]2[CH:9]=[N:10][NH:11][C:12]=2[CH:13]([CH3:15])[CH3:14])[CH:5]=[CH:4][N:3]=1.[CH3:16][C:17]1[CH:24]=[CH:23][CH:22]=[CH:21][C:18]=1[CH2:19][NH2:20]>CS(C)=O.CCOC(C)=O>[CH:13]([C:12]1[NH:11][N:10]=[CH:9][C:8]=1[C:6]1[CH:5]=[CH:4][N:3]=[C:2]([NH:20][CH2:19][C:18]2[CH:21]=[CH:22][CH:23]=[CH:24][C:17]=2[CH3:16])[CH:7]=1)([CH3:15])[CH3:14] | 1 |
C(OC([N:8]1[CH2:12][C@@H:11]([CH2:13][N:14]([CH3:28])[C:15]([CH:17]2[C:26]3[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=3)[NH:20][C:19](=[O:27])[CH2:18]2)=[O:16])[C@H:10]([CH2:29][C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)[CH2:9]1)=O)(C)(C)C>O1CCOCC1.Cl>[CH2:29]([C@@H:10]1[CH2:9][NH:8][CH2:12][C@H:11]1[CH2:13][N:14]([CH3:28])[C:15]([CH:17]1[C:26]2[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=2)[NH:20][C:19](=[O:27])[CH2:18]1)=[O:16])[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1 | 2 |
C(C(C)(C)C)(=O)N[C@@H]([C@H](O)C)C(=O)O.Cl.N[C@H](C(=O)NCC1=C(C=C(C=C1)C)F)COC1=CC(=CC=C1)C=O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC1=C(CNC([C@H](COC2=CC(=CC=C2)C=O)NC([C@H]([C@@H](C)O)NC(C(C)(C)C)=O)=O)=O)C=CC(=C1)C | 3 |
Br[CH2:2][CH2:3][C:4]1[CH:11]=[CH:10][C:7]([C:8]#[N:9])=[CH:6][CH:5]=1.Cl.[N:13]1([C:19](=[O:32])[CH2:20][C:21]2[CH:26]=[CH:25][C:24]([N:27]3[CH:31]=[N:30][N:29]=[N:28]3)=[CH:23][CH:22]=2)[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]1.C(=O)([O-])[O-].[K+].[K+].O>[I-].C([N+](CCCC)(CCCC)CCCC)CCC.CN(C=O)C>[N:27]1([C:24]2[CH:25]=[CH:26][C:21]([CH2:20][C:19]([N:13]3[CH2:14][CH2:15][N:16]([CH2:2][CH2:3][C:4]4[CH:11]=[CH:10][C:7]([C:8]#[N:9])=[CH:6][CH:5]=4)[CH2:17][CH2:18]3)=[O:32])=[CH:22][CH:23]=2)[CH:31]=[N:30][N:29]=[N:28]1 | 1 |
CI.CC=1N=CNC1C>CS(=O)C.[OH-].[K+]>CN1C=NC(=C1C)C | 3 |
C[N:2]([CH:4]=[N:5][C:6]([C:8]1[C:13](=[O:14])[CH:12]=[CH:11][N:10]([C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([C:21]([F:24])([F:23])[F:22])[CH:16]=2)[N:9]=1)=O)C.[C:25]1([NH:31]N)[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1>C(O)(=O)C>[C:25]1([N:31]2[C:6]([C:8]3[C:13](=[O:14])[CH:12]=[CH:11][N:10]([C:15]4[CH:20]=[CH:19][CH:18]=[C:17]([C:21]([F:24])([F:23])[F:22])[CH:16]=4)[N:9]=3)=[N:5][CH:4]=[N:2]2)[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1 | 1 |
ClC1=CC=C(C=C1)C(O)C=1C(=NC=CC1I)F>>ClC1=CC=C(C=C1)C(=O)C=1C(=NC=CC1I)F | 5 |
FC1=C(C=C(C(=C1)[N+](=O)[O-])C)OC>>FC=1C(=CC(=C(N)C1)C)OC | 5 |
BrC1=NC(=CC=C1)CO>>CC1=CC=C(C=C1)S(=O)(=O)OCC1=NC(=CC=C1)Br | 5 |
[CH:1]1([C:7]2[CH:15]=[CH:14][C:10]([C:11]([OH:13])=O)=[CH:9][CH:8]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C1C=CC2N(O)N=NC=2C=1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C(N(CC)CC)C.Cl.[C:58]([C:61]1([C:67]2[CH:72]=[CH:71][CH:70]=[CH:69][CH:68]=2)[CH2:66][CH2:65][NH:64][CH2:63][CH2:62]1)(=[O:60])[CH3:59]>CN(C=O)C.C(OCC)(=O)C>[CH:1]1([C:7]2[CH:8]=[CH:9][C:10]([C:11]([N:64]3[CH2:65][CH2:66][C:61]([C:58](=[O:60])[CH3:59])([C:67]4[CH:68]=[CH:69][CH:70]=[CH:71][CH:72]=4)[CH2:62][CH2:63]3)=[O:13])=[CH:14][CH:15]=2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1 | 2 |
[SH:1][CH:2]([CH2:8][SH:9])[CH2:3][S:4]([O-:7])(=[O:6])=[O:5].[Na+].Cl>>[SH:1][CH:2]([CH2:8][SH:9])[CH2:3][S:4]([OH:7])(=[O:6])=[O:5] | 1 |
[CH3:1][C:2]1[O:6][C:5]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)=[N:4][C:3]=1[CH2:13][CH2:14][O:15][C:16]1[CH:31]=[CH:30][C:19]([CH2:20][CH:21]([C:26]([O:28]C)=[O:27])[C:22]([O:24][CH3:25])=[O:23])=[CH:18][CH:17]=1.[OH-].[Na+]>CO.O1CCCC1>[CH3:25][O:24][C:22]([CH:21]([CH2:20][C:19]1[CH:18]=[CH:17][C:16]([O:15][CH2:14][CH2:13][C:3]2[N:4]=[C:5]([C:7]3[CH:8]=[CH:9][CH:10]=[CH:11][CH:12]=3)[O:6][C:2]=2[CH3:1])=[CH:31][CH:30]=1)[C:26]([OH:28])=[O:27])=[O:23] | 1 |
Cl.CS(=O)(=O)N1C[C@H](CC1)N.ClC1=C2N=CN(C2=NC(=N1)SC)C1CC1>C(C)(C)O.C([O-])([O-])=O.[Na+].[Na+].C(C)(C)N(C(C)C)CC>C1(CC1)N1C2=NC(=NC(=C2N=C1)N[C@@H]1CN(CC1)S(=O)(=O)C)SC | 3 |
[C:1]([C:3]1([CH2:11][CH2:12][C:13]#[N:14])[CH2:8][CH:7]2[CH2:9][CH2:10][CH:4]1[CH:5]=[CH:6]2)#[N:2]>CO.[Pd]>[C:1]([C:3]1([CH2:11][CH2:12][C:13]#[N:14])[CH2:8][CH:7]2[CH2:9][CH2:10][CH:4]1[CH2:5][CH2:6]2)#[N:2] | 1 |
ClC1=C(OC2=C(OCC=3CS[C@H]4N(C3C(=O)OC(C3=CC=CC=C3)C3=CC=CC=C3)C(C4NC(CN4N=NN=C4)=O)=O)C=C(C=C2)Cl)C=CC(=C1)Cl>>ClC1=C(OC2=C(OCC=3CS[C@H]4N(C3C(=O)O)C(C4NC(CN4N=NN=C4)=O)=O)C=C(C=C2)Cl)C=CC(=C1)Cl | 5 |
FC=1C=C(C#N)C=C(C1)NCC1=CC=C(C=C1)OC>>C(#N)C=1C=C(C=C(C1)F)N(C(C(F)(F)F)=O)CC1=CC=C(C=C1)OC | 5 |
COC(C1=C(C=C(C=C1)N1[C@H](N2[C@@H](C1=O)[C@@H]([C@@]([C@@H]2CC(C)(C)C)(C#N)C2=C(C=C(C=C2)Cl)F)C2=C(C(=CC=C2)Cl)F)CCC=C)OC)=O>>C(CC=C)[C@@H]1N(C([C@@H]2N1[C@H]([C@]([C@H]2C2=C(C(=CC=C2)Cl)F)(C#N)C2=C(C=C(C=C2)Cl)F)CC(C)(C)C)=O)C2=CC(=C(C(=O)O)C=C2)OC | 5 |
FC1=C(C=CC=C1)[N+](=O)[O-].NC1=C(C#N)C=C(C=C1)C>CS(=O)C.O[Li].O>CC=1C=CC(=C(C#N)C1)NC1=C(C=CC=C1)[N+](=O)[O-] | 3 |
[NH:1]1[C:5]([NH:6][C:7]([C:9]2[C:17](=[O:18])[N:16]3[C:12]([S:13][C:14]4[CH:22]=[C:21](Cl)[C:20](Cl)=[CH:19][C:15]=43)=[N:11][CH:10]=2)=[O:8])=[N:4][N:3]=[N:2]1.N1C(NC(C2C(=O)N3C(SC4C=C(F)C(F)=CC=43)=NC=2)=O)=NN=N1.N1C(NC(C2C(=O)N3C(SC4C=C(F)C=CC=43)=NC=2)=O)=NN=N1.N1C(NC(C2C(=O)N3C(SC4C=C(Cl)C=CC=43)=NC=2)=O)=NN=N1.N1C(NC(C2C(=O)N3C(SC4C=C(F)C([C:118]([F:121])([F:120])[F:119])=CC=43)=NC=2)=O)=NN=N1.N1C(NC(C2C(=O)N3C(SC4C=C(Cl)C(F)=CC=43)=NC=2)=O)=NN=N1.N1C(NC(C2C(=O)N3C(SC4C=C(F)C(Cl)=CC=43)=NC=2)=O)=NN=N1>>[NH:1]1[C:5]([NH:6][C:7]([C:9]2[C:17](=[O:18])[N:16]3[C:12]([S:13][C:14]4[CH:22]=[CH:21][C:20]([C:118]([F:121])([F:120])[F:119])=[CH:19][C:15]=43)=[N:11][CH:10]=2)=[O:8])=[N:4][N:3]=[N:2]1 | 1 |
[C:1]([O:5][C:6]([NH:8][CH2:9][C@H:10]1[CH2:15][CH2:14][C@H:13]([C:16]([NH:18][C@H:19]([C:39]([OH:41])=O)[CH2:20][C:21]2[CH:26]=[CH:25][CH:24]=[C:23]([C:27]3[CH:28]=[N:29][C:30]([N:33]4[CH2:38][CH2:37][O:36][CH2:35][CH2:34]4)=[N:31][CH:32]=3)[CH:22]=2)=[O:17])[CH2:12][CH2:11]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[NH2:42][C:43]1[CH:48]=[CH:47][C:46]([C:49]2[N:53]=[C:52]([C:54]([F:62])([F:61])[C:55]([F:60])([F:59])[C:56]([OH:58])=[O:57])[NH:51][N:50]=2)=[CH:45][CH:44]=1.C(N(CC)C(C)C)(C)C.C(P1(=O)OP(=O)(CCC)OP(=O)(CCC)O1)CC>C(OCC)(=O)C.O>[C:1]([O:5][C:6]([NH:8][CH2:9][C@H:10]1[CH2:15][CH2:14][C@H:13]([C:16]([NH:18][C@H:19]([C:39]([NH:42][C:43]2[CH:44]=[CH:45][C:46]([C:49]3[N:53]=[C:52]([C:54]([F:62])([F:61])[C:55]([F:60])([F:59])[C:56]([OH:58])=[O:57])[NH:51][N:50]=3)=[CH:47][CH:48]=2)=[O:41])[CH2:20][C:21]2[CH:26]=[CH:25][CH:24]=[C:23]([C:27]3[CH:28]=[N:29][C:30]([N:33]4[CH2:34][CH2:35][O:36][CH2:37][CH2:38]4)=[N:31][CH:32]=3)[CH:22]=2)=[O:17])[CH2:12][CH2:11]1)=[O:7])([CH3:2])([CH3:3])[CH3:4] | 2 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[NH:5]/[C:4](=[C:12]2/[C:13]([CH2:18][CH2:19][CH3:20])=[N:14][NH:15][C:16]/2=[O:17])/[CH:3]=1.[NH2:21][C:22]1[CH:27]=[CH:26][C:25]([SH:28])=[CH:24][CH:23]=1>C(O)C>[NH2:21][C:22]1[CH:27]=[CH:26][C:25]([S:28][C:2]2[C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[NH:5]/[C:4](=[C:12]3/[C:13]([CH2:18][CH2:19][CH3:20])=[N:14][NH:15][C:16]/3=[O:17])/[CH:3]=2)=[CH:24][CH:23]=1 | 1 |
[CH3:1][C:2]1([CH3:13])[O:6][C@@H:5]2[CH:7]=[CH:8][C@@H:9]([C@H:10]3[CH2:12][O:11]3)[C@@H:4]2[O:3]1.[NH3:14]>CO>[NH2:14][CH2:12][C@H:10]([C@H:9]1[C@H:4]2[C@H:5]([O:6][C:2]([CH3:13])([CH3:1])[O:3]2)[CH:7]=[CH:8]1)[OH:11] | 1 |
CS(O[CH2:6][CH2:7][C:8]1([CH3:19])[O:12][C:11]2=[N:13][C:14]([N+:16]([O-:18])=[O:17])=[CH:15][N:10]2[CH2:9]1)(=O)=O.Cl.[C:21]([N:25]1[CH2:30][CH2:29][NH:28][CH2:27][C:26]1=[O:31])([CH3:24])([CH3:23])[CH3:22].C(N(CC)CC)C.[I-].[K+]>O.CN(C=O)C>[C:21]([N:25]1[CH2:30][CH2:29][N:28]([CH2:6][CH2:7][C:8]2([CH3:19])[O:12][C:11]3=[N:13][C:14]([N+:16]([O-:18])=[O:17])=[CH:15][N:10]3[CH2:9]2)[CH2:27][C:26]1=[O:31])([CH3:24])([CH3:22])[CH3:23] | 1 |
[CH3:1][O:2][C:3](=[O:10])[CH:4]=[CH:5][CH:6]=[CH:7][CH2:8]Br.[C:11]1([SH:17])[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1.C(N(CC)CC)C>>[CH3:1][O:2][C:3](=[O:10])[CH:4]=[CH:5][CH:6]=[CH:7][CH2:8][S:17][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1 | 1 |
FC(C1=NN(C=2CCCCC12)CC(=O)O)(F)F.NC=1C(=NN2C1C(N(CC2)C)=O)C(=O)N>>CN1C(C=2N(CC1)N=C(C2NC(CN2N=C(C=1CCCCC21)C(F)(F)F)=O)C(=O)N)=O | 5 |
[NH2:1][C:2]([CH3:6])([CH3:5])[CH2:3][OH:4].[CH3:7][O:8][C:9]1[CH:17]=[CH:16][C:12]([CH2:13][CH2:14]Br)=[CH:11][CH:10]=1.C(=O)([O-])[O-].[K+].[K+].[I-].[K+]>C(#N)C>[CH3:7][O:8][C:9]1[CH:17]=[CH:16][C:12]([CH2:13][CH2:14][NH:1][C:2]([CH3:6])([CH3:5])[CH2:3][OH:4])=[CH:11][CH:10]=1 | 1 |
[F:1][C:2]([F:26])([F:25])[C:3]1[N:8]2[N:9]=[CH:10][C:11]([C:12]([OH:14])=O)=[C:7]2[N:6]=[C:5]([C:15]2[CH:20]=[CH:19][C:18]([C:21]([F:24])([F:23])[F:22])=[CH:17][CH:16]=2)[CH:4]=1.[NH2:27][C:28]1[S:32][C:31]([S:33]([NH2:36])(=[O:35])=[O:34])=[N:30][N:29]=1>>[S:33]([C:31]1[S:32][C:28]([NH:27][C:12]([C:11]2[CH:10]=[N:9][N:8]3[C:3]([C:2]([F:26])([F:1])[F:25])=[CH:4][C:5]([C:15]4[CH:16]=[CH:17][C:18]([C:21]([F:23])([F:24])[F:22])=[CH:19][CH:20]=4)=[N:6][C:7]=23)=[O:14])=[N:29][N:30]=1)(=[O:35])(=[O:34])[NH2:36] | 1 |
F[C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][CH:3]=1.Cl.[NH:12]1[CH2:17][CH2:16][O:15][CH2:14][C@H:13]1[CH2:18][OH:19].C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[N+:8]([C:5]1[CH:6]=[CH:7][C:2]([N:12]2[CH2:17][CH2:16][O:15][CH2:14][C@H:13]2[CH2:18][OH:19])=[CH:3][CH:4]=1)([O-:10])=[O:9] | 2 |
BrC1=C(C=C(C=C1)NC1(CCOCC1)C(=O)O)COC1CC1.C1(CC1)OC=1C(=C(C=CC1)B1OC(C(O1)(C)C)(C)C)C>O.C1CCCO1.C(=O)([O-])[O-].[Cs+].[Cs+].Nc1ccccc1-c2ccccc2[Pd]Cl.Nc3ccccc3-c4ccccc4[Pd]Cl.CC(C)c5cc(C(C)C)c(-c6cccc(c6)P(C7CCCCC7)C8CCCCC8)c(c5)C(C)C.CC(C)c9cc(C(C)C)c(c(c9)C(C)C)-c%10ccccc%10P(C%11CCCCC%11)C%12CCCCC%12>C1(CC1)OC=1C(=C(C=CC1)C1=C(C=C(C=C1)NC1(CCOCC1)C(=O)O)COC1CC1)C | 3 |
C(C)(C)(C)NS(=O)(=O)C=1C=C(OCCN(C(OC(C)(C)C)=O)C)C=CC1C1=CN=C(S1)[C@@H]1CC[C@H](CC1)NC(=O)OC(C)C>CO[H].Cl>C(C)(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)OCCNC)C1=CN=C(S1)[C@@H]1CC[C@H](CC1)NC(OC(C)C)=O | 3 |
[CH2:1]([C:8]1[CH:13]=[CH:12][N:11]=[C:10]([C:14](OC)=[O:15])[CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C1COCC1.[BH4-].[Na+].[Li+].[Cl-]>CCO>[CH2:1]([C:8]1[CH:13]=[CH:12][N:11]=[C:10]([CH2:14][OH:15])[CH:9]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[Br-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.C(C)OC(=O)C1=CC=C(C=C1)N1CCC(CC1)=O>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Na+]>C=C1CCN(CC1)C1=CC=C(C(=O)OCC)C=C1 | 3 |
COC(=O)C=1C=C(C=CC1)Br.NC=1C=C(COC2=C(C(=C(C=C2)C(C)=O)O)CCC)C=CC1>>COC(C1=CC(=CC=C1)NC1=CC(=CC=C1)COC1=C(C(=C(C=C1)C(C)=O)O)CCC)=O | 5 |
ClC1=C(CBr)C=CC=C1.C(C)(C)(C)C=1N=C(C2=C(N1)NC=C2)N2CC(CC2)OC(C)=O>>C(C)(C)(C)C=1N=C(C2=C(N1)N(C=C2)CC2=C(C=CC=C2)Cl)N2CC(CC2)O | 5 |
BrC=1C(=C(C=CC1)C(CCCCCC)=O)OC>>BrC=1C(=C(C=CC1)[C@H](CCCCCC)O)OC | 5 |
[F:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[CH:4][C:3]=1[CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[C:16]1([OH:30])[CH2:21][CH2:20][N:19]([CH2:22][CH2:23][C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)[CH2:18][CH2:17]1.C([Li])CCC.[C:36]([Cl:40])(=[O:39])[CH2:37][CH3:38]>O1CCCC1.O>[ClH:40].[F:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[CH:4][C:3]=1[CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[C:16]1([O:30][C:36](=[O:39])[CH2:37][CH3:38])[CH2:21][CH2:20][N:19]([CH2:22][CH2:23][C:24]2[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=2)[CH2:18][CH2:17]1 | 1 |
[S:1]([O-:5])([O-:4])(=[O:3])=[O:2].[CH3:6][CH:7]([CH2:9][CH2:10][CH2:11][C@H:12]([C@@H:14]1[C@:31]2([CH3:32])[C:17](=[C:18]3[C@H:28]([CH2:29][CH2:30]2)[C@:26]2([CH3:27])[C@H:21]([CH2:22][C@@H:23]([N+]4C=CC=CC=4)[CH2:24][CH2:25]2)[CH2:20][CH2:19]3)[C:16](=[O:39])[CH2:15]1)[CH3:13])[CH3:8].CC(CCC[C@H]([C@@H]1[C@]2(C)C(=C3[C@H](CC2)[C@]2(C)[C@H](C[C@@H]([N+]4C=CC=CC=4)CC2)CC3)C(=O)C1)C)C.[Cl-].[K+:75]>O>[S:1]([OH:5])([OH:4])(=[O:3])=[O:2].[CH3:6][CH:7]([CH2:9][CH2:10][CH2:11][C@H:12]([C@@H:14]1[C@:31]2([CH3:32])[C:17](=[C:18]3[C@H:28]([CH2:29][CH2:30]2)[C@:26]2([CH3:27])[C@H:21]([CH2:22][C@@H:23]([K:75])[CH2:24][CH2:25]2)[CH2:20][CH2:19]3)[C:16](=[O:39])[CH2:15]1)[CH3:13])[CH3:8] | 1 |
C(=O)([O-])[O-].[K+].[K+].[OH:7][C:8]1[CH:17]=[C:16]([OH:18])[C:15]([S:19](=[O:26])(=[O:25])[N:20]([CH3:24])[CH2:21][CH2:22][CH3:23])=[CH:14][C:9]=1[C:10]([O:12][CH3:13])=[O:11].[CH2:27](Br)[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1>C(#N)C>[CH2:27]([O:7][C:8]1[CH:17]=[C:16]([O:18][CH2:10][C:9]2[CH:14]=[CH:15][CH:16]=[CH:17][CH:8]=2)[C:15]([S:19](=[O:26])(=[O:25])[N:20]([CH3:24])[CH2:21][CH2:22][CH3:23])=[CH:14][C:9]=1[C:10]([O:12][CH3:13])=[O:11])[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1 | 1 |
C1(=CC=CC=C1)C=O.C1(CC1)[C@H]1[C@@H](CNCC1)NP(OCC)(OCC)=O>CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>C(C1=CC=CC=C1)N1C[C@H]([C@@H](CC1)C1CC1)NP(OCC)(OCC)=O | 3 |
[OH:1][CH2:2][CH:3]([CH2:5][OH:6])[OH:4].[O:7]1[CH2:12][CH2:11]OCC1.[C:13](Cl)(=[O:16])[CH:14]=[CH2:15].O.[C:19](OCC)(=O)C>C(N(CC)CC)C>[C:13]([O:1][CH2:2][CH:3]([CH2:5][O:6][C:12](=[O:7])[CH:11]=[CH2:19])[OH:4])(=[O:16])[CH:14]=[CH2:15] | 1 |
BrC=1C=NC=C(C1)Br.Cl.N[C@@H](C(=O)NCC(F)(F)F)C>[Cu]I.C([O-])([O-])=O.[K+].[K+].CS(=O)C>BrC=1C=C(C=NC1)N[C@@H](C(=O)NCC(F)(F)F)C | 3 |
O1C(OCCC1)C1=CC(=C(C=C1)C=1SC2=C(N1)C=CC(=C2)C2(CC2)C2=CC=CC=C2)F>>FC=1C=C(C=O)C=CC1C=1SC2=C(N1)C=CC(=C2)C2(CC2)C2=CC=CC=C2 | 5 |
C1(=CC=CC=C1)C=O.C(CC)=O>O.CO[H].[OH-].[Na+].C(C)(=O)O>CC(C=O)=CC1=CC=CC=C1 | 3 |
ClC1=CC(=C(C=C1)[C@@]1(OC2=C(O1)C=CC=C2C2CCN(CC2)CC2=NC1=C(C=NC(=C1)C=1NC(=NN1)C(=O)N)N2C[C@H]2OCC2)C)F>O.ClCCl.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.C(C)(C)N(C(C)C)CC>ClC1=CC(=C(C=C1)[C@@]1(OC2=C(O1)C=CC=C2C2CCN(CC2)CC2=NC1=C(C=NC(=C1)C=1NC(=NN1)C#N)N2C[C@H]2OCC2)C)F | 3 |
BrC1=NC=CC=C1.C(C)(=O)[C@]1([C@@]([C@@]([C@]([C@](O)(O1)OC1=CC=C(C=C1)C=O)(O)C(C)=O)(O)C(C)=O)(O)C(C)=O)CO>>C(C)(=O)[C@]1([C@@]([C@@]([C@]([C@](O)(O1)OC1=CC=C(C=C1)C(O)C1=NC=CC=C1)(O)C(C)=O)(O)C(C)=O)(O)C(C)=O)CO | 5 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[C:14]([F:21])([F:20])[C:15]([O:17]CC)=[O:16].O.[OH-].[Li+].C(O)(=O)CC(CC(O)=O)(C(O)=O)O>O1CCCC1.O.CO>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[C:14]([F:20])([F:21])[C:15]([OH:17])=[O:16] | 2 |
BrCCOC(C)=O.BrC=1C(=NNC1)C1=CC=NC=C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC=1C(=NN(C1)CCO)C1=CC=NC=C1 | 3 |
[F:1][C:2]([F:19])([F:18])[C:3]([F:17])([C:13]([F:16])([F:15])[F:14])[CH2:4][CH:5]([C:9]([F:12])([F:11])[F:10])[CH2:6][CH2:7]I.C(O)C.[S-:23][C:24]#[N:25].[K+].C(O)(=O)C>CCOCC.O>[F:1][C:2]([F:19])([F:18])[C:3]([F:17])([C:13]([F:16])([F:15])[F:14])[CH2:4][CH:5]([C:9]([F:12])([F:11])[F:10])[CH2:6][CH2:7][S:23][C:24]#[N:25] | 2 |
C(C1CO1)OCC=C>C(C)O[SiH](OCC)OCC>C(C1CO1)OCCC[Si](OCC)(OCC)OCC | 3 |
CC1(OB(OC1(C)C)C1=CC=C(C=C1)NC(C(=C)C)=O)C.BrC=1C(=NN2C1C(=NC=C2)N)I>O1CCOCC1.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>NC=1C=2N(C=CN1)N=C(C2Br)C2=CC=C(C=C2)NC(C(=C)C)=O | 3 |
[CH:1]1[C:9]2[C:8]3[CH:10]=[CH:11][CH:12]=[CH:13][C:7]=3[O:6][C:5]=2[C:4](B(O)O)=[CH:3][CH:2]=1.[Br:17][C:18]1[CH:23]=[CH:22][CH:21]=[C:20](I)[CH:19]=1>C1(C)C=CC=CC=1.C(O)C.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>[Br:17][C:18]1[CH:19]=[C:20]([C:4]2[C:5]3[O:6][C:7]4[CH:13]=[CH:12][CH:11]=[CH:10][C:8]=4[C:9]=3[CH:1]=[CH:2][CH:3]=2)[CH:21]=[CH:22][CH:23]=1 | 2 |
CC1=CC=C(C=C1)S(=O)(=O)OCCCC1=CNC2=CC=C(C=C12)C#N.CC1CN(CCN1)C1=NC=CC(=N1)C(=O)N>>C(#N)C=1C=C2C(=CNC2=CC1)CCCN1C(CN(CC1)C1=NC=CC(=N1)C(=O)N)C | 5 |
[CH2:1]([O:8][C:9]1[CH:10]=[CH:11][C:12]([O:19][CH3:20])=[C:13]([NH:15][C:16](=O)[CH3:17])[CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CO>C1COCC1>[CH2:1]([O:8][C:9]1[CH:10]=[CH:11][C:12]([O:19][CH3:20])=[C:13]([CH:14]=1)[NH:15][CH2:16][CH3:17])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 2 |
[Br:1][C:2]1[N:3]=[C:4]([C:9]2[O:10][C:11]([C:14]3[CH:19]=[CH:18][C:17]([CH2:20]Br)=[CH:16][CH:15]=3)=[N:12][N:13]=2)[C:5]([NH2:8])=[N:6][CH:7]=1.C([O-])([O-])=O.[Na+].[Na+].[CH3:28][NH2:29]>O1CCCC1.O>[Br:1][C:2]1[N:3]=[C:4]([C:9]2[O:10][C:11]([C:14]3[CH:19]=[CH:18][C:17]([CH2:20][NH:29][CH3:28])=[CH:16][CH:15]=3)=[N:12][N:13]=2)[C:5]([NH2:8])=[N:6][CH:7]=1 | 1 |
[Si](C)(C)(C(C)(C)C)OC[C@@H](CC=C)N[S@@](=O)C(C)(C)C>CO[H].Cl.O1CCOCC1>N[C@@H](CO)CC=C | 3 |
FC(F)(F)S(O[C:7]1[C:11]2[C:12]([O:16][CH3:17])=[N:13][CH:14]=[CH:15][C:10]=2[N:9]([CH:18]2[CH2:22][CH2:21][O:20][CH2:19]2)[N:8]=1)(=O)=O.CC1(C)C(C)(C)OB([C:33]2[CH:38]=[CH:37][C:36]([S:39]([NH2:42])(=[O:41])=[O:40])=[CH:35][CH:34]=2)O1.C(=O)([O-])[O-].[Na+].[Na+].O>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>[CH3:17][O:16][C:12]1[C:11]2[C:7]([C:33]3[CH:38]=[CH:37][C:36]([S:39]([NH2:42])(=[O:41])=[O:40])=[CH:35][CH:34]=3)=[N:8][N:9]([CH:18]3[CH2:22][CH2:21][O:20][CH2:19]3)[C:10]=2[CH:15]=[CH:14][N:13]=1 | 1 |
[O:1]1[C:10]2[C:5](=[N:6][CH:7]=[CH:8][CH:9]=2)[O:4][C@@H:3]([CH2:11][NH2:12])[CH2:2]1.[F:13][C:14]([F:30])([F:29])[C@@H:15]([NH:24][S:25]([CH3:28])(=[O:27])=[O:26])[C:16]1[CH:21]=[CH:20][C:19]([CH:22]=O)=[CH:18][CH:17]=1.[BH4-].[Na+].[ClH:33]>C(Cl)Cl.CO>[ClH:33].[O:1]1[C:10]2[C:5](=[N:6][CH:7]=[CH:8][CH:9]=2)[O:4][C@@H:3]([CH2:11][NH:12][CH2:22][C:19]2[CH:18]=[CH:17][C:16]([C@H:15]([NH:24][S:25]([CH3:28])(=[O:27])=[O:26])[C:14]([F:29])([F:30])[F:13])=[CH:21][CH:20]=2)[CH2:2]1 | 1 |
[N+:1]([C:4]1[CH:5]=[C:6]([S:10](Cl)(=[O:12])=[O:11])[CH:7]=[CH:8][CH:9]=1)([O-:3])=[O:2].C(OC(C)C)(=O)C.[F:21][CH:22]([F:25])[CH2:23][OH:24].C(N(CC)CC)C>>[N+:1]([C:4]1[CH:5]=[C:6]([S:10]([O:24][CH2:23][CH:22]([F:25])[F:21])(=[O:12])=[O:11])[CH:7]=[CH:8][CH:9]=1)([O-:3])=[O:2] | 1 |
C(C)NC(=O)C1CC=2C(=NC=CC2)N1C([C@H](C(C)C)NC([C@H](C)N(C(OC(C)(C)C)=O)C)=O)=O>>C(C)NC(=O)[C@@H]1CC=2C(=NC=CC2)N1C([C@H](C(C)C)NC([C@H](C)NC)=O)=O | 5 |
C(C1=CC=CC=C1)OC1=C(C=C(C=C1)C=C[N+](=O)[O-])OC>C1CCCO1.Cl.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(C1=CC=CC=C1)OC1=C(C=C(C=C1)CCN)OC | 3 |
CC(C)([O-])C.[K+].CC1C=CC(S([CH2:17][N+:18]#[C-])(=O)=O)=CC=1.[CH:20]1([CH2:23][S:24][CH:25]2[CH2:30][CH2:29][C:28](=O)[CH2:27][CH2:26]2)[CH2:22][CH2:21]1>COCCOC.C(OCC)(=O)C>[CH:20]1([CH2:23][S:24][CH:25]2[CH2:30][CH2:29][CH:28]([C:17]#[N:18])[CH2:27][CH2:26]2)[CH2:22][CH2:21]1 | 1 |
C1(=CC=CC=C1)N=O.BrC1=CC=C(C=O)C=C1>CO[H].[HH]>BrC1=CC=C(C=C1)CNC1=CC=CC=C1 | 3 |
OC=1C=C(C=CC1)C(C)=O.[N-]1C=NC=C1.[Ag+].C(C)(=O)O[C@H]1C(SC[C@H]([C@@H]1OC(C)=O)OC(C)=O)Br>CC#N.ClCCl.[Cl-].[Zn+2].[Cl-]>C(C)(=O)O[C@H]1[C@H](OC2=CC(=CC=C2)C(C)=O)SC[C@H]([C@@H]1OC(C)=O)OC(C)=O | 3 |
Cl.[CH2:2]([O:9][C:10](=[O:32])[C@@H:11]1[CH2:15][CH2:14][CH2:13][N:12]1[C:16](=[O:31])[C@H:17]([CH2:19][CH:20]([CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)[C:21](=[O:23])[OH:22])[NH2:18])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.C(N(CC)CC)C.[C:40]1([S:46](Cl)(=[O:48])=[O:47])[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1>C(Cl)Cl>[CH2:2]([O:9][C:10](=[O:32])[C@@H:11]1[CH2:15][CH2:14][CH2:13][N:12]1[C:16](=[O:31])[C@H:17]([CH2:19][CH:20]([CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)[C:21](=[O:22])[OH:23])[NH:18][S:46]([C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1)(=[O:48])=[O:47])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1 | 1 |
CC=1OC(=C(N1)C(=O)Cl)C.NC=1C=C(OC=2C=CC=3N(C2)N=C(N3)NC(=O)C3CC3)C=CC1>>C1(CC1)C(=O)NC1=NN2C(C=CC(=C2)OC=2C=C(C=CC2)NC(=O)C=2N=C(OC2C)C)=N1 | 5 |
ClC=1C=CC=2N(N1)C(=CN2)C(C)=O.FC1=C2C=NN(C2=CC(=C1)F)C>C1CCCO1.C(CCC)[Li]>ClC=1C=CC=2N(N1)C(=CN2)C(C)(O)C=2C(=C1C=NN(C1=CC2F)C)F | 3 |
[C:1]([C:3]1[C:4]([C:19]([F:22])([F:21])[F:20])=[C:5]2[C:9](=[CH:10][CH:11]=1)[N:8]([CH:12]([CH3:17])[C:13](OC)=[O:14])[C:7]([CH3:18])=[CH:6]2)#[N:2].[Li+].[BH4-]>C1COCC1>[OH:14][CH2:13][CH:12]([N:8]1[C:9]2[C:5](=[C:4]([C:19]([F:22])([F:20])[F:21])[C:3]([C:1]#[N:2])=[CH:11][CH:10]=2)[CH:6]=[C:7]1[CH3:18])[CH3:17] | 1 |
[C:1]12([C:11](=[O:21])[CH2:12][N:13]3[CH2:20][CH2:19][CH2:18][C@H:14]3[C:15]([OH:17])=O)[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.C(N(CC)CC)C.ClC(OCC(C)C)=O.[CH2:37]([NH:44][C:45](=[O:52])[C@H:46]([CH2:48][CH:49]([CH3:51])[CH3:50])[NH2:47])[C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1>C1COCC1>[C:1]12([C:11](=[O:21])[CH2:12][N:13]3[CH2:20][CH2:19][CH2:18][C@H:14]3[C:15]([N:44]([CH2:37][C:38]3[CH:39]=[CH:40][CH:41]=[CH:42][CH:43]=3)[C:45](=[O:52])[C@H:46]([CH2:48][CH:49]([CH3:51])[CH3:50])[NH2:47])=[O:17])[CH2:10][CH:5]3[CH2:4][CH:3]([CH2:9][CH:7]([CH2:6]3)[CH2:8]1)[CH2:2]2 | 1 |
CN(CCNC)C.BrC=1SC2=C(N1)C=CC(=C2)[N+](=O)[O-]>>CN(CCN(C=1SC2=C(N1)C=CC(=C2)[N+](=O)[O-])C)C | 5 |
C(C1=CC=CC=C1)OC1=CC=C(C=C1)O.ClC1=C(C=C(C=O)C=C1)[N+](=O)[O-]>>C(C1=CC=CC=C1)OC1=CC=C(OC2=C(C=C(C=O)C=C2)[N+](=O)[O-])C=C1 | 5 |
CN1CCNCCC1.ClC1=NC=C(C=N1)C(=O)OC>ClCCl.C(C)(C)N(C(C)C)CC>CN1CCN(CCC1)C1=NC=C(C=N1)C(=O)OC | 3 |
ON=C(C1=C(C=CC=C1)C1=CNC=C1)N>CCO[H].C(C)(=O)OCC.Cl.NO.C(O)([O-])=O.[Na+]>ON=C(C1=C(C=CC=C1)C=1NC2=CC=CC=C2C1)N | 3 |
C(OCC[Si](C)(C)C)Cl.BrC1=CC(=CC=2NC=NC21)Cl>N(C)(C)C=O.[H-].[Na+]>BrC1=CC(=CC=2N(C=NC21)COCC[Si](C)(C)C)Cl | 3 |
[BH4-].[Na+].[Cl:3][C:4]1[CH:9]=[CH:8][C:7]([C:10]2[C:11]([C:18]([O:20][CH3:21])=[O:19])=[CH:12][C:13]([C:16]#[N:17])=[CH:14][CH:15]=2)=[CH:6][CH:5]=1>CO.Cl[Ni]Cl>[NH2:17][CH2:16][C:13]1[CH:12]=[C:11]([C:18]([O:20][CH3:21])=[O:19])[C:10]([C:7]2[CH:8]=[CH:9][C:4]([Cl:3])=[CH:5][CH:6]=2)=[CH:15][CH:14]=1 | 2 |
CC=1C=C(C=C(C1)C)C1=C2CCCC2=CC=2C=C(CC12)C>C1CCCO1.C(C)OCC.C(CCC)[Li].CCCCCC.CCCC(C)C.CCC(C)CC.C[Si](Cl)(Cl)C>Cl[Si](C)(C)C1C(=CC2=C(C=3CCCC3C=C12)C1=CC(=CC(=C1)C)C)C | 3 |
Cl[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][Cl:8].[SH:9][CH2:10][CH2:11][CH2:12][Si:13]([O:20][CH2:21][CH3:22])([O:17][CH2:18][CH3:19])[O:14][CH2:15][CH3:16].CC[O-].[Na+]>>[Si:13]([CH2:12][CH2:11][CH2:10][S:9][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][Cl:8])([O:17][CH2:18][CH3:19])([O:20][CH2:21][CH3:22])[O:14][CH2:15][CH3:16] | 1 |
[N:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]2[CH2:11][CH2:12][C:13](=[O:16])[NH:14][N:15]=2)=[CH:6][CH:5]=1)=[C:2]=[S:3].Br.Br[CH2:19][CH2:20][NH2:21].C([O-])([O-])=O.[K+].[K+]>CN(C=O)C>[S:3]1[CH2:19][CH2:20][N:21]=[C:2]1[NH:1][C:4]1[CH:5]=[CH:6][C:7]([C:10]2[CH2:11][CH2:12][C:13](=[O:16])[NH:14][N:15]=2)=[CH:8][CH:9]=1 | 1 |
ClC(C(=O)C=1NC=C(C1)Cl)(Cl)Cl>>ClC=1C=C(NC1)C(=O)N | 5 |
C(#N)[C@@H]1N2[C@H](C=3C(C(=C(C(C3C[C@H]2[C@H]2C=3C(C(=C(C(C3C[C@@H]1N2C)=O)C)OC)=O)=O)C)OC)=O)COC(C)=O>CC#N.O.[N+](=O)([O-])[O-].[Ag+]>O[C@@H]1N2[C@H](C=3C(C(=C(C(C3C[C@H]2[C@H]2C=3C(C(=C(C(C3C[C@@H]1N2C)=O)C)OC)=O)=O)C)OC)=O)COC(C)=O | 3 |
Cl[C:2]1[C:7]([C:8]2[CH:13]=[CH:12][C:11]([Cl:14])=[C:10]([Cl:15])[CH:9]=2)=[N:6][CH:5]=[CH:4][N:3]=1.[NH:16]1[CH2:21][CH2:20][NH:19][CH2:18][CH2:17]1.C(Cl)Cl>O>[Cl:15][C:10]1[CH:9]=[C:8]([C:7]2[C:2]([N:16]3[CH2:21][CH2:20][NH:19][CH2:18][CH2:17]3)=[N:3][CH:4]=[CH:5][N:6]=2)[CH:13]=[CH:12][C:11]=1[Cl:14] | 1 |
FC1=CC=C(C=C1)S(=O)(=O)Cl.Cl.Cl.ClC=1C=C(CN2CCN(CC2)C[C@H](C(C)C)NC(C2=CC=C(C=C2)C)=O)C=CC1Cl>>ClC=1C=C(CN2CCN(CC2)C[C@@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)F)C=CC1Cl | 5 |
O(C1=CC=CC=C1)CCN.ClC1=C(C#N)C(=CC(=N1)NC1=NNC(=C1)C)C>>O(C1=CC=CC=C1)CCNC1=C(C#N)C(=CC(=N1)NC1=NNC(=C1)C)C | 5 |
C(C)(=O)Cl.Cl.NCC1C2=C(B(O1)O)C=C(C=C2)OCC(=O)O[C@H]2[C@]1([C@H]3[C@]([C@H]([C@@H]([C@@](C2)(C=C)C)O)C)(CCC3=O)CC[C@H]1C)C>O.ClCCl.CCN(CC)CC>C(C)(=O)NCC1C2=C(B(O1)O)C=C(C=C2)OCC(=O)O[C@H]2[C@]1([C@H]3[C@]([C@H]([C@@H]([C@@](C2)(C=C)C)O)C)(CCC3=O)CC[C@H]1C)C | 3 |
C(Cl)(=O)C(Cl)=O.[CH2:7]([O:14][CH2:15][CH2:16][CH2:17][OH:18])[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.C(N(CC)CC)C.O>ClCCl>[CH2:7]([O:14][CH2:15][CH2:16][CH:17]=[O:18])[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1 | 1 |
FC1=CC(=C(C=C1)N)N.O=C1N(C2=CC=CC=C2C12COC=1C2=CC2=C(OCO2)C1)CC(=O)O>>FC1=CC2=C(NC(=N2)CN2C(C3(C4=CC=CC=C24)COC=2C3=CC3=C(OCO3)C2)=O)C=C1 | 5 |
NC([C@H](C[C@H]1C(NC(C1)(C)C)=O)NC(=O)C1N(CC2(CCC2)C1)C(=O)[C@H](C(C)(C)C)NC(OC(C)(C)C)=O)=O>Cl.C(C)(=O)OCC>N[C@H](C(=O)N1CC2(CCC2)CC1C(=O)N[C@H](C(=O)N)C[C@H]1C(NC(C1)(C)C)=O)C(C)(C)C | 3 |
BrCCOC1=CC=C(CC2=C(C(OC3=CC(=CC=C23)O)=O)C2=C(C=C(C=C2)Cl)Cl)C=C1>>BrCCOC1=CC=C(CC2=C(C(OC3=C(C(=CC=C23)O)I)=O)C2=C(C=C(C=C2)Cl)Cl)C=C1 | 5 |
ClC(=O)OC.N[C@@H]1C(N(CC1)[C@@H]1CC[C@H](CC1)OC1=NC(=NC(=C1)N1C(=NC2=C1C=CC=C2)C(F)F)N2CCOCC2)=O>>COC(N[C@@H]1C(N(CC1)[C@@H]1CC[C@H](CC1)OC1=NC(=NC(=C1)N1C(=NC2=C1C=CC=C2)C(F)F)N2CCOCC2)=O)=O | 5 |
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