smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C(=O)OCC)(=O)OCC.C(C)OC=1C(CCCC1)=O>C1CCCO1.C(Cl)(Cl)(Cl)[H].C(C)OCC.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>C(C)OC=1C(C(CCC1)C(C(=O)OCC)=O)=O | 3 |
C1(=CC=CC=C1)CN1CCC(CC1)=O.C(C)OC(CC#N)=O>>C(C)OC(C(C#N)=C1CCN(CC1)CC1=CC=CC=C1)=O | 5 |
[C:1]([OH:9])(=[O:8])[CH:2]([CH2:4][C:5]([OH:7])=[O:6])[OH:3]>O.[O-2].[Zn+2]>[C:1]([OH:9])(=[O:8])[CH:2]([CH2:4][C:5]([OH:7])=[O:6])[OH:3].[C:1]([O-:9])(=[O:8])[CH:2]([CH2:4][C:5]([O-:7])=[O:6])[OH:3] | 1 |
I[CH2:2][CH2:3][CH:4]1[CH2:10][CH2:9][C:8]2[C:11]([O:21][CH3:22])=[C:12]([O:19][CH3:20])[C:13]([O:17][CH3:18])=[C:14]([O:15][CH3:16])[C:7]=2[CH2:6][CH2:5]1.[OH:23][C:24]1[CH:25]=[N:26][CH:27]=[CH:28][CH:29]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C.O>[CH3:16][O:15][C:14]1[C:7]2[CH2:6][CH2:5][CH:4]([CH2:3][CH2:2][O:23][C:24]3[CH:25]=[N:26][CH:27]=[CH:28][CH:29]=3)[CH2:10][CH2:9][C:8]=2[C:11]([O:21][CH3:22])=[C:12]([O:19][CH3:20])[C:13]=1[O:17][CH3:18] | 1 |
CC1=CC(=C2C(=N1)SC1=C2NN=C1N)C>ClCCl.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C(C)(C)NC1=NNC2=C1SC1=NC(=CC(=C12)C)C | 3 |
CC1(C)[O:6][C@H:5]([CH2:7][O:8][C:9]2[CH:14]=[C:13]([NH:15][C:16]([N:18]3[C@@H:24]4[CH2:25][N:21]([CH2:22][CH2:23]4)[C:20]4[CH:26]=[CH:27][C:28]([C:30]5[CH:35]=[CH:34][CH:33]=[C:32]([C:36]([F:39])([F:38])[F:37])[CH:31]=5)=[N:29][C:19]3=4)=[O:17])[CH:12]=[CH:11][N:10]=2)[CH2:4][O:3]1.Cl.O1CCOCC1>>[OH:6][C@@H:5]([CH2:4][OH:3])[CH2:7][O:8][C:9]1[CH:14]=[C:13]([NH:15][C:16]([N:18]2[C@@H:24]3[CH2:25][N:21]([CH2:22][CH2:23]3)[C:20]3[CH:26]=[CH:27][C:28]([C:30]4[CH:35]=[CH:34][CH:33]=[C:32]([C:36]([F:37])([F:39])[F:38])[CH:31]=4)=[N:29][C:19]2=3)=[O:17])[CH:12]=[CH:11][N:10]=1 | 2 |
[CH3:1][C:2]1[CH:3]=[C:4]([C:9]2[NH:10][C:11]3[C:16]([C:17]=2[CH2:18][CH2:19][NH:20][CH2:21][CH2:22][CH2:23][CH2:24][C:25]2[CH:30]=[CH:29][C:28]([OH:31])=[CH:27][CH:26]=2)=[CH:15][CH:14]=[CH:13][CH:12]=3)[CH:5]=[C:6]([CH3:8])[CH:7]=1.C=O.[C:34](O)(=O)C.C([BH3-])#N.[Na+]>O>[OH-:31].[NH4+:10].[CH3:8][C:6]1[CH:5]=[C:4]([C:9]2[NH:10][C:11]3[C:16]([C:17]=2[CH2:18][CH2:19][N:20]([CH3:34])[CH2:21][CH2:22][CH2:23][CH2:24][C:25]2[CH:26]=[CH:27][C:28]([OH:31])=[CH:29][CH:30]=2)=[CH:15][CH:14]=[CH:13][CH:12]=3)[CH:3]=[C:2]([CH3:1])[CH:7]=1 | 1 |
O=C1C(=CNC(=C1)CO)OCC(=O)O>O.CO[H].ClN1C(N(C(N(C1=O)Cl)=O)Cl)=O>O=C1C(=CNC(=C1Cl)CO)OCC(=O)O | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9](C(S)C(OCC)=O)=[S:10])=[CH:4][CH:3]=1.[NH:18]([C:20]([O:22][CH3:23])=[O:21])[NH2:19]>ClCCl>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:8][C:9]([NH:19][NH:18][C:20]([O:22][CH3:23])=[O:21])=[S:10])=[CH:6][CH:7]=1 | 1 |
C(OC([N:11]1[CH2:16][CH2:15][CH:14]([CH2:17][CH:18]=[CH2:19])[CH:13]([NH:20][C:21]2[C:26]([CH3:27])=[C:25]([NH:28][C:29]3[CH:34]=[CH:33][C:32]([O:35][CH2:36][CH3:37])=[CH:31][CH:30]=3)[N:24]3[N:38]=[CH:39][CH:40]=[C:23]3[N:22]=2)[CH2:12]1)=O)C1C=CC=CC=1>CCO.[Pd]>[CH2:36]([O:35][C:32]1[CH:31]=[CH:30][C:29]([NH:28][C:25]2[N:24]3[N:38]=[CH:39][CH:40]=[C:23]3[N:22]=[C:21]([NH:20][CH:13]3[CH:14]([CH2:17][CH2:18][CH3:19])[CH2:15][CH2:16][NH:11][CH2:12]3)[C:26]=2[CH3:27])=[CH:34][CH:33]=1)[CH3:37] | 1 |
[Br:1][C:2]1[C:3]([C:10](OCC)=[O:11])=[N:4][N:5]([CH:7]([F:9])[F:8])[CH:6]=1.[BH4-].[Na+]>CO>[Br:1][C:2]1[C:3]([CH2:10][OH:11])=[N:4][N:5]([CH:7]([F:8])[F:9])[CH:6]=1 | 2 |
[CH3:1][N:2]1[CH2:15][CH2:14][C:5]2[NH:6][C:7]3[CH:8]=[CH:9][C:10]([CH3:13])=[CH:11][C:12]=3[C:4]=2[CH2:3]1.C1(C)C=CC=CC=1.[C:23](#[N:26])[CH:24]=[CH2:25]>C1C=CC=CC=1>[CH3:1][N:2]1[CH2:15][CH2:14][C:5]2[N:6]([CH2:25][CH2:24][C:23]#[N:26])[C:7]3[CH:8]=[CH:9][C:10]([CH3:13])=[CH:11][C:12]=3[C:4]=2[CH2:3]1 | 1 |
C1(CCCC1)CCC(=O)NC1=C(C(=CC=C1CC)[N+](=O)[O-])CC>>NC=1C(=C(C(=CC1)CC)NC(CCC1CCCC1)=O)CC | 5 |
O.[C:2]1([C:8]([CH:10]=[O:11])=[O:9])[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:12]1([CH:18]([CH3:20])[CH3:19])[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1>ClC(Cl)C.[Ti](Cl)(Cl)(Cl)Cl>[CH:18]([C:12]1[CH:17]=[CH:16][C:15]([CH:10]([OH:11])[C:8](=[O:9])[C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)=[CH:14][CH:13]=1)([CH3:20])[CH3:19] | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[N:9]=[CH:8][N:7]=[C:6]2[O:15][C:16]1[CH:22]=[CH:21][C:19]([NH2:20])=[CH:18][CH:17]=1.C1(C)C=CC=CC=1.C(N(CC)CC)C.Cl[C:38](Cl)([O:40][C:41](=[O:47])OC(Cl)(Cl)Cl)Cl.[F:49][C:50]([F:60])([F:59])[C:51]1[CH:58]=[CH:57][C:54](CO)=[CH:53][CH:52]=1>C(Cl)Cl>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[N:9]=[CH:8][N:7]=[C:6]2[O:15][C:16]1[CH:22]=[CH:21][C:19]([NH:20][C:41](=[O:47])[O:40][CH2:38][C:54]2[CH:57]=[CH:58][C:51]([C:50]([F:60])([F:59])[F:49])=[CH:52][CH:53]=2)=[CH:18][CH:17]=1 | 1 |
C1(CCC1)C1=C(C(=O)[O-])C=CC=C1.[K+].C(#N)C1=CC=NC(=C1C(=O)OC)O[C@H]1CN[C@@H](CC1)C>N(C)(C)C=O.CCN=C=NCCCN(C)C.ON1N=NC2=C1N=CC=C2>C(#N)C1=CC=NC(=C1C(=O)OC)O[C@H]1CN([C@@H](CC1)C)C(C1=C(C=CC=C1)C1CCC1)=O | 3 |
[CH3:1][O:2][C:3]1[CH:11]=[CH:10][C:6]([C:7]([OH:9])=O)=[C:5]([N+:12]([O-:14])=[O:13])[CH:4]=1.S(Cl)(Cl)(=O)=O.[Cl:20][C:21]1[CH:26]=[CH:25][C:24]([NH2:27])=[CH:23][CH:22]=1>C1(C)C=CC=CC=1.C1COCC1>[Cl:20][C:21]1[CH:26]=[CH:25][C:24]([NH:27][C:7](=[O:9])[C:6]2[CH:10]=[CH:11][C:3]([O:2][CH3:1])=[CH:4][C:5]=2[N+:12]([O-:14])=[O:13])=[CH:23][CH:22]=1 | 2 |
F[C@H]1CN(CC[C@@H]1O)C(=O)OC(C)(C)C.FC(S(=O)(=O)OC1CN(C1)C(=O)OCC1=CC=CC=C1)(F)F>N(C)(C)C=O.CC(C)(C)[O-].[K+].O.[I-].[K+]>O=C1NC(CCC1N1C(N(C2=C1C=CC=C2N2CC1(C2)C(CN(CC1)CC1CCC(CC1)N1N=C2C=CC(=CC2=C1)NC(=O)C1=NC(=CC=C1)C(F)(F)F)(F)F)C)=O)=O | 3 |
[NH2:1][C:2]1[CH:7]=[C:6]([Br:8])[CH:5]=[C:4]([Br:9])[C:3]=1[OH:10].[C:11](OC(=O)C)(=[O:13])[CH3:12]>>[C:11]([NH:1][C:2]1[CH:7]=[C:6]([Br:8])[CH:5]=[C:4]([Br:9])[C:3]=1[OH:10])(=[O:13])[CH3:12] | 1 |
IC1=C(C=C(C=C1)OC(F)(F)F)[N+](=O)[O-]>>[N+](=O)([O-])C1=C(C=CC(=C1)OC(F)(F)F)N1C=NC=C1 | 5 |
[N:1]1([C:5]([C:7]2[CH:15]=[C:14]3[C:10]([C:11]([C:29]4[CH:38]=[CH:37][C:32]([C:33]([O:35]C)=[O:34])=[CH:31][C:30]=4[F:39])=[CH:12][N:13]3[C:16](=[O:28])[C:17]3[C:22]([C:23]([F:26])([F:25])[F:24])=[CH:21][CH:20]=[CH:19][C:18]=3[Cl:27])=[CH:9][CH:8]=2)=[O:6])[CH2:4][CH2:3][CH2:2]1.O[Li].O>C1COCC1.O>[N:1]1([C:5]([C:7]2[CH:15]=[C:14]3[C:10]([C:11]([C:29]4[CH:38]=[CH:37][C:32]([C:33]([OH:35])=[O:34])=[CH:31][C:30]=4[F:39])=[CH:12][N:13]3[C:16](=[O:28])[C:17]3[C:22]([C:23]([F:25])([F:24])[F:26])=[CH:21][CH:20]=[CH:19][C:18]=3[Cl:27])=[CH:9][CH:8]=2)=[O:6])[CH2:4][CH2:3][CH2:2]1 | 2 |
OCC(=CCC1=C(C(=C2COC(C2=C1OCC[Si](C)(C)C)=O)C)C=C)C>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.C(Br)(Br)(Br)Br>BrCC(=CCC1=C(C(=C2COC(C2=C1OCC[Si](C)(C)C)=O)C)C=C)C | 3 |
[CH3:1][S:2]([C:5]1[CH:10]=[CH:9][C:8](B(O)O)=[CH:7][CH:6]=1)(=[O:4])=[O:3].Br[C:15]1[CH:16]=[CH:17][C:18]([O:21][CH2:22][CH:23]2[CH2:28][CH2:27][N:26]([C:29]([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30])[CH2:25][CH2:24]2)=[N:19][CH:20]=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>[CH3:1][S:2]([C:5]1[CH:10]=[CH:9][C:8]([C:15]2[CH:16]=[CH:17][C:18]([O:21][CH2:22][CH:23]3[CH2:24][CH2:25][N:26]([C:29]([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30])[CH2:27][CH2:28]3)=[N:19][CH:20]=2)=[CH:7][CH:6]=1)(=[O:4])=[O:3] | 1 |
N1=CC(=CC=C1)C1=NC(=NC=C1)NCC1=CC=C(C(=O)OC)C=C1>>N1=CC(=CC=C1)C1=NC(=NC=C1)NCC1=CC=C(C(=O)O)C=C1 | 5 |
FC(CN1CCC(CC1)COC=1C=CC(=NC1)C1=CC=C(C(=O)OC)C=C1)(C)C>>FC(CN1CCC(CC1)COC=1C=CC(=NC1)C1=CC=C(C(=O)O)C=C1)(C)C | 5 |
COOB([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)O.C1(P(C2CCCCC2)[C:19]2[C:24]([O:25][CH3:26])=[CH:23][C:22](OC)=[CH:21][C:20]=2OC)CCCCC1.[C:37](=[O:40])([O-])[O-:38].[K+].[K+]>C1(C)C=CC=CC=1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[CH3:11][C:6]1[C:37](=[O:40])[O:38][CH:8]([C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][CH:11]=2)[C:7]=1[C:19]1[CH:20]=[CH:21][CH:22]=[CH:23][C:24]=1[O:25][CH3:26] | 1 |
[I:1][C:2]1[CH:7]=[CH:6][C:5]([CH3:8])=[CH:4][C:3]=1[N+:9]([O-])=O.[Cl-:12].[NH4+]>O1CCCC1.CO.O>[ClH:12].[I:1][C:2]1[CH:7]=[CH:6][C:5]([CH3:8])=[CH:4][C:3]=1[NH2:9] | 1 |
C(C)(=O)OC(C)=O.NC1=NC2=C(C=CC=C2C(N1)=O)COC>>COCC=1C=CC=C2C(NC(=NC12)NC(C)=O)=O | 3 |
C1COCCN1.BrC1=CC=C(CBr)C=C1>N(C)(C)C=O>N1(CCOCC1)CC1=CC=C(C=C1)Br | 3 |
C[C:2]([CH3:4])=[O:3].[CH:5]([OH:8])([CH3:7])[CH3:6].[CH2:9]([O:11]CC)C>C(O)(=O)C.C(OCC)(=O)C.O>[C:2]([O:3][CH2:6][CH2:5][CH3:7])(=[O:11])[CH3:4].[C:5]([O:3][CH2:2][CH3:4])(=[O:8])[CH2:7][CH3:9] | 1 |
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]=[CH:2]1.[Li]CCCC.[CH3:15][C:16]([Si:19](Cl)([CH3:21])[CH3:20])([CH3:18])[CH3:17].[Br:23]N1C(=O)CCC1=O>C1COCC1.CCCCCC.N1C=CC=CC=1>[Si:19]([N:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]([Br:23])=[CH:2]1)([C:16]([CH3:18])([CH3:17])[CH3:15])([CH3:21])[CH3:20] | 1 |
CC1=NOC(=C1C=1C=C(C(=C2N=C(COC21)C=2C=NC=CC2)N)F)C>O.[Na+].[BH4-].CCO[H]>CC1=NOC(=C1C=1C=C(C(=C2NC(COC21)C=2C=NC=CC2)N)F)C | 3 |
Cl.Br[C:3]1[CH:8]=[CH:7][N:6]=[CH:5][CH:4]=1.[Li]CCCC.[CH2:14]([Sn:18](Cl)([CH2:23][CH2:24][CH2:25][CH3:26])[CH2:19][CH2:20][CH2:21][CH3:22])[CH2:15][CH2:16][CH3:17].[NH4+].[Cl-]>CCOCC>[CH2:23]([Sn:18]([CH2:14][CH2:15][CH2:16][CH3:17])([CH2:19][CH2:20][CH2:21][CH3:22])[C:3]1[CH:8]=[CH:7][N:6]=[CH:5][CH:4]=1)[CH2:24][CH2:25][CH3:26] | 1 |
[C:1]([OH:13])(=[O:12])[CH2:2][C:3]([CH2:8][C:9]([OH:11])=[O:10])([C:5]([OH:7])=[O:6])[OH:4].C([O-])(=O)CC(CC([O-])=O)(C([O-])=O)O.[Na+].[Na+].[Na+].[O:30]=[CH:31][C@@H:32]([C@H:34]([C@@H:36]([C@@H:38]([CH2:40][OH:41])[OH:39])[OH:37])[OH:35])[OH:33]>>[CH2:40]([OH:41])[C@@H:38]([OH:39])[C@@H:36]([OH:37])[C@H:34]([OH:35])[C@@H:32]([OH:33])[CH:31]=[O:30].[CH2:8]([C:3]([OH:4])([C:5]([OH:7])=[O:6])[CH2:2][C:1]([OH:13])=[O:12])[C:9]([OH:11])=[O:10] | 1 |
[F:1][C:2]1[CH:23]=[CH:22][C:5]([CH2:6][N:7]([CH2:14][CH2:15][N:16]([CH3:21])[CH2:17][CH2:18][CH2:19][NH2:20])[C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][N:9]=2)=[CH:4][CH:3]=1.[C:24](N1C=CN=C1)(N1C=CN=C1)=[O:25].[CH3:36][N:37]([CH2:39][C:40]1[O:49][C:43]([CH2:44][S:45][CH2:46][CH2:47][NH2:48])=[CH:42][CH:41]=1)[CH3:38]>>[CH3:38][N:37]([CH2:39][C:40]1[O:49][C:43]([CH2:44][S:45][CH2:46][CH2:47][NH:48][C:24]([NH:20][CH2:19][CH2:18][CH2:17][N:16]([CH2:15][CH2:14][N:7]([CH2:6][C:5]2[CH:22]=[CH:23][C:2]([F:1])=[CH:3][CH:4]=2)[C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][N:9]=2)[CH3:21])=[O:25])=[CH:42][CH:41]=1)[CH3:36] | 1 |
Cl.Cl.Cl.[O:4]1[C:8]2=[C:9]([N:13]3[CH2:18][CH2:17][N:16]([CH2:19][CH2:20][C@H:21]4[CH2:26][CH2:25][C@H:24]([NH2:27])[CH2:23][CH2:22]4)[CH2:15][CH2:14]3)[N:10]=[CH:11][CH:12]=[C:7]2[CH2:6][CH2:5]1.[N:28]1[CH:33]=[CH:32][CH:31]=[C:30]([C:34]2[CH:42]=[CH:41][C:37]([C:38](O)=[O:39])=[CH:36][CH:35]=2)[CH:29]=1>>[O:4]1[C:8]2=[C:9]([N:13]3[CH2:18][CH2:17][N:16]([CH2:19][CH2:20][C@H:21]4[CH2:26][CH2:25][C@H:24]([NH:27][C:38](=[O:39])[C:37]5[CH:36]=[CH:35][C:34]([C:30]6[CH:29]=[N:28][CH:33]=[CH:32][CH:31]=6)=[CH:42][CH:41]=5)[CH2:23][CH2:22]4)[CH2:15][CH2:14]3)[N:10]=[CH:11][CH:12]=[C:7]2[CH2:6][CH2:5]1 | 1 |
COC(=O)C1=CC2=CC(=CC(=C2C(=C1)OCC(NC1=C(C=CC=C1)C(=O)OC)=O)Cl)Cl>O.C1CCCO1.[OH-].[Li+]>C(=O)(O)C1=C(C=CC=C1)NC(=O)COC1=CC(=CC2=CC(=CC(=C12)Cl)Cl)C(=O)O | 3 |
FC1=C(C=C(C(=C1)N[C@@H]1CN(CC1)CC1=C(C=CC=C1)F)C)S(=O)(=O)NC=1N=CSC1>C=O.C(=O)(C(F)(F)F)O.[OH-].[Na+].N.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].[Cl-].[NH4+]>FC1=C(C=C(C(=C1)N(C)[C@@H]1CN(CC1)CC1=C(C=CC=C1)F)C)S(=O)(=O)NC=1N=CSC1 | 3 |
ClC=1C=C(CO)C=CC1.C1(CC1)C=1C=CC=2N(C1)C=C(N2)CN2N=NC=1C=NC(=CC12)N>ClCCl.CCN(CC)CC.C(=O)(C=1NC=CN1)C=1NC=CN1>C1(CC1)C=1C=CC=2N(C1)C=C(N2)CN2N=NC=1C=NC(=CC12)NC(OCC1=CC(=CC=C1)Cl)=O | 3 |
[CH2:1]([Br:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[N:9]1([C:25]([O:27][C:28]([CH3:31])([CH3:30])[CH3:29])=[O:26])[CH:13]2[CH2:14][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:16][CH2:17][N:12]2[CH2:11][CH2:10]1>C(#N)C>[Br-:8].[CH2:1]([N+:12]12[CH2:11][CH2:10][N:9]([C:25]([O:27][C:28]([CH3:31])([CH3:30])[CH3:29])=[O:26])[CH:13]1[CH2:14][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:16][CH2:17]2)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
C([O:8][C:9]1[CH:14]=[CH:13][N:12]([CH2:15][CH2:16][CH2:17][CH3:18])[C:11](=[O:19])[CH:10]=1)C1C=CC=CC=1>[Pd].C(O)C>[CH2:15]([N:12]1[CH:13]=[CH:14][C:9]([OH:8])=[CH:10][C:11]1=[O:19])[CH2:16][CH2:17][CH3:18] | 1 |
C[O:2][C:3]1[CH:4]=[C:5]2[C:10](=[C:11]([CH3:14])[C:12]=1[CH3:13])[N:9]([C:15](=[O:17])C)[CH2:8][C:7]1([CH2:20][CH2:19][CH2:18]1)[CH2:6]2.B(Br)(Br)Br>ClCCl>[OH:2][C:3]1[CH:4]=[C:5]2[C:10](=[C:11]([CH3:14])[C:12]=1[CH3:13])[N:9]([CH:15]=[O:17])[CH2:8][C:7]1([CH2:20][CH2:19][CH2:18]1)[CH2:6]2 | 1 |
[C:1]([OH:7])([C:3]([F:6])([F:5])[F:4])=[O:2].C(OC(=O)[NH:14][CH2:15][C:16]1[CH:21]=[CH:20][C:19]([Cl:22])=[CH:18][C:17]=1[CH2:23][NH:24][C:25]([C@@H:27]1[CH2:31][CH2:30][CH2:29][N:28]1[C:32]([C:34]1([OH:43])[C:42]2[C:37](=[N:38][CH:39]=[CH:40][CH:41]=2)[CH2:36][CH2:35]1)=[O:33])=[O:26])(C)(C)C>C(Cl)Cl>[NH2:14][CH2:15][C:16]1[CH:21]=[CH:20][C:19]([Cl:22])=[CH:18][C:17]=1[CH2:23][NH:24][C:25]([C@@H:27]1[CH2:31][CH2:30][CH2:29][N:28]1[C:32]([C:34]1([OH:43])[C:42]2[C:37](=[N:38][CH:39]=[CH:40][CH:41]=2)[CH2:36][CH2:35]1)=[O:33])=[O:26].[F:4][C:3]([F:6])([F:5])[C:1]([O-:7])=[O:2] | 2 |
CC1=CC=CC(=N1)C=O.C(C)OP(=O)(OCC)C(CC(=O)OCC)C(C)=O>CCO[H].CC[O-].[Na+]>CC1=CC=CC(=N1)C=C(CC(=O)OCC)C(C)=O | 3 |
[OH:1][C:2]1[C:3]([CH2:19][OH:20])=[C:4]([CH2:9][NH:10][C:11]2[CH:18]=[CH:17][C:14]([C:15]#[N:16])=[CH:13][CH:12]=2)[CH:5]=[N:6][C:7]=1[CH3:8].Br[CH2:22][C:23]1[CH:28]=[CH:27][C:26]([C:29]#[N:30])=[CH:25][CH:24]=1>>[C:29]([C:26]1[CH:27]=[CH:28][C:23]([CH2:22][O:1][C:2]2[C:3]([CH2:19][OH:20])=[C:4]([CH2:9][NH:10][C:11]3[CH:18]=[CH:17][C:14]([C:15]#[N:16])=[CH:13][CH:12]=3)[CH:5]=[N:6][C:7]=2[CH3:8])=[CH:24][CH:25]=1)#[N:30] | 1 |
[Br:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[CH:4][C:3]=1[Cl:9].C(=O)([O-])[O-].[Na+].[Na+].Br[CH2:17][C:18]([O:20][CH2:21][CH3:22])=[O:19]>C(O)C.CCOCC>[CH2:21]([O:20][C:18](=[O:19])[CH2:17][NH:6][C:5]1[CH:7]=[CH:8][C:2]([Br:1])=[C:3]([Cl:9])[CH:4]=1)[CH3:22] | 1 |
ClC=1C=C(CC#N)C=C(C1)OC>C(C)(=O)O.[Cl-].C(CCC)[N+](CCCC)(CCCC)CCCC.Br>ClC=1C=C(C=C(C1)O)CC(=O)O | 3 |
BrCCO.C(C)(C)(C)NC=1N=C(C=C2C=CNC(C12)=O)Cl>>C(C)(C)(C)NC=1N=C(C=C2C=CN(C(C12)=O)CCO)Cl | 5 |
[N:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[N:9][C:4]=2[NH:3][CH:2]=1.Br[CH2:11][C:12]([O:14][CH2:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)=[O:13].C([O-])([O-])=O.[Cs+].[Cs+]>CN(C=O)C.CC(=O)OCC>[CH2:15]([O:14][C:12](=[O:13])[CH2:11][N:3]1[C:4]2=[N:9][CH:8]=[CH:7][CH:6]=[C:5]2[N:1]=[CH:2]1)[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]([NH2:9])[CH:5]=[CH:6][C:7]=1[CH3:8].[S:10](C#N)[C:11]#[N:12].[K].BrBr.[OH-].[NH4+]>C(O)(=O)C>[F:1][C:2]1[C:7]([CH3:8])=[CH:6][C:5]2[S:10][C:11]([NH2:12])=[N:9][C:4]=2[CH:3]=1 | 2 |
[CH2:1]([NH:8][C:9]([N:11]1[C:19]2[C:14](=[CH:15][C:16]([NH:20][S:21]([C:24]3[CH:29]=[C:28]([Cl:30])[CH:27]=[C:26]([Cl:31])[CH:25]=3)(=[O:23])=[O:22])=[CH:17][CH:18]=2)[CH:13]=[CH:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(=O)([O-])[O-].[K+].[K+].Br[CH2:39][C:40]([O:42][C:43]([CH3:46])([CH3:45])[CH3:44])=[O:41].O>CN(C)C=O.C(OCC)(=O)C>[CH2:1]([NH:8][C:9]([N:11]1[C:19]2[C:14](=[CH:15][C:16]([N:20]([CH2:39][C:40]([O:42][C:43]([CH3:46])([CH3:45])[CH3:44])=[O:41])[S:21]([C:24]3[CH:29]=[C:28]([Cl:30])[CH:27]=[C:26]([Cl:31])[CH:25]=3)(=[O:23])=[O:22])=[CH:17][CH:18]=2)[CH:13]=[CH:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
FC1=CC=C(C=C1)N(C=1C=2N(C=CN1)C(=NN2)NC(OC(C)C)=O)C>>FC1=CC=C(C=C1)N(C=1C=2N(C=CN1)C(=NN2)N)C | 5 |
[OH:1][CH2:2][CH:3]1[CH2:5][CH:4]1[C:6]([O:8][CH2:9][CH3:10])=[O:7].CCN(CC)CC.[CH3:18][S:19](Cl)(=[O:21])=[O:20]>CN(C1C=CN=CC=1)C.C(Cl)Cl>[CH3:18][S:19]([O:1][CH2:2][CH:3]1[CH2:5][CH:4]1[C:6]([O:8][CH2:9][CH3:10])=[O:7])(=[O:21])=[O:20] | 1 |
[H-].[Na+].[Cl:3][C:4]1[CH:5]=[C:6]([CH2:11][C:12]#[N:13])[CH:7]=[CH:8][C:9]=1[Cl:10].Br[CH2:15][CH2:16][O:17][CH:18]1[CH2:23][CH2:22][CH2:21][CH2:20][O:19]1.[Cl-].[NH4+]>O1CCCC1>[Cl:3][C:4]1[CH:5]=[C:6]([CH:11]([CH2:15][CH2:16][O:17][CH:18]2[CH2:23][CH2:22][CH2:21][CH2:20][O:19]2)[C:12]#[N:13])[CH:7]=[CH:8][C:9]=1[Cl:10] | 1 |
Cl.[CH3:2][N:3]([CH3:10])[CH2:4][CH:5]=[CH:6][C:7](O)=[O:8].C(Cl)(=O)C(Cl)=O.N#N.[NH2:19][C:20]1[N:28]=[CH:27][N:26]=[C:25]2[C:21]=1[N:22]([C:37]1[CH:42]=[CH:41][C:40]([O:43][C:44]3[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=3)=[CH:39][CH:38]=1)[C:23](=[O:36])[N:24]2[C:29]1[CH:34]=[CH:33][CH:32]=[C:31]([NH2:35])[CH:30]=1>CN(C=O)C.CC#N.C(Cl)Cl>[NH2:19][C:20]1[N:28]=[CH:27][N:26]=[C:25]2[C:21]=1[N:22]([C:37]1[CH:42]=[CH:41][C:40]([O:43][C:44]3[CH:45]=[CH:46][CH:47]=[CH:48][CH:49]=3)=[CH:39][CH:38]=1)[C:23](=[O:36])[N:24]2[C:29]1[CH:30]=[C:31]([NH:35][C:7](=[O:8])/[CH:6]=[CH:5]/[CH2:4][N:3]([CH3:10])[CH3:2])[CH:32]=[CH:33][CH:34]=1 | 1 |
F[C:2]1[CH:7]=[C:6](F)[CH:5]=[C:4](F)[N:3]=1.[OH:10][C:11]1[N:15]([CH3:16])[N:14]=[C:13]([C:17]([F:20])([F:19])[F:18])[CH:12]=1.[C:21](=[O:24])([O-])[O-].[K+].[K+]>S1(CCCC1)(=O)=O>[CH3:16][N:15]1[C:11]([O:10][C:2]2[CH:7]=[C:6]([O:10][C:11]3[N:15]([CH3:16])[N:14]=[C:13]([C:17]([F:20])([F:19])[F:18])[CH:12]=3)[CH:5]=[C:4]([O:24][C:21]3[N:15]([CH3:11])[N:14]=[C:13]([C:17]([F:20])([F:19])[F:18])[CH:12]=3)[N:3]=2)=[CH:12][C:13]([C:17]([F:20])([F:19])[F:18])=[N:14]1 | 1 |
C(OC([N:11]([CH2:22][CH2:23][O:24][CH2:25][CH3:26])[CH2:12][CH2:13][CH2:14][C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])=O)C1C=CC=CC=1>CO.[Pd]>[CH2:25]([O:24][CH2:23][CH2:22][NH:11][CH2:12][CH2:13][CH2:14][C:15]([O:17][C:18]([CH3:19])([CH3:21])[CH3:20])=[O:16])[CH3:26] | 1 |
COC1=CC=C(C(=S)N)C=C1.BrCC(CCCCCNC(COCC1=CC=C(C=C1)F)=O)=O>CO[H]>FC1=CC=C(COCC(=O)NCCCCCC=2N=C(SC2)C2=CC=C(C=C2)OC)C=C1 | 3 |
FC1=CC=C(N)C=C1.C(C)N(CC)CC.FC1=C(C=C(C(=C1)OC1=CC(=NC=C1)NC(=O)N1C[C@@H](CC1)O)F)NC(=O)C1(CC1)C(=O)O>>FC1=C(C=C(C(=C1)OC1=CC(=NC=C1)NC(=O)N1C[C@@H](CC1)O)F)NC(=O)C1(CC1)C(=O)NC1=CC=C(C=C1)F | 5 |
ClC=1C=C(OC)C=CC1N>>ClC=1C=C(C=CC1OC)NC1=NC(=NC(=N1)Cl)Cl | 5 |
O=C1C2=C(OC13CCN(CC3)C(=O)OC(C)(C)C)C=CC=C2>>C(C)(C)(C)[S@@](=O)\N=C/1\C2=C(OC13CCN(CC3)C(=O)OC(C)(C)C)C=CC=C2 | 5 |
CN(C(OC(C)(C)C)=O)CC1CCNCC1.O=C1NC(CCC1N1C(N(C2=C1C=CC=C2C=O)C)=O)=O>N(C)(C)C=O.O.C1CCCO1.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>O=C1NC(CCC1N1C(N(C2=C1C=CC=C2CN2CCC(CC2)CN(C(OC(C)(C)C)=O)C)C)=O)=O | 3 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)[C@@H]1OC[C@H]2O[C@H]2C1.C(C1=CC=CC=C1)(C1=CC=CC=C1)[C@@H]1CC[C@H](CO1)O>CCCCC>C(C1=CC=CC=C1)(C1=CC=CC=C1)[C@H]1CC[C@@H](CO1)O | 3 |
C(=C)(C)B1OC(C)(C)C(C)(C)O1.C(C1=CC=CC=C1)OCC1=NN(C(N1CC)=O)C1=NC=2C(=CN(C(C2C=C1F)=O)C1=C(C=CC=C1)C)Br>O.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].O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C1=CC=CC=C1)OCC1=NN(C(N1CC)=O)C1=NC=2C(=CN(C(C2C=C1F)=O)C1=C(C=CC=C1)C)C(=C)C | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][CH:10]([N:13]2[CH:17]=[C:16]([C:18]3[CH:23]=[CH:22][C:21]([F:24])=[C:20]([C:25]([F:28])([F:27])[F:26])[CH:19]=3)[N:15]=[C:14]2[CH:29]2[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]2)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(N(C(C)C)C(C)C)C.[NH2:44][C:45]1[C:50]([C:51]#[N:52])=[C:49](Cl)[N:48]=[CH:47][N:46]=1>C(#N)C>[NH2:44][C:45]1[N:46]=[CH:47][N:48]=[C:49]([N:32]2[CH2:33][CH2:34][CH:29]([C:14]3[N:13]([CH:10]4[CH2:11][CH2:12][N:8]([C:6]([O:5][C:1]([CH3:4])([CH3:2])[CH3:3])=[O:7])[CH2:9]4)[CH:17]=[C:16]([C:18]4[CH:23]=[CH:22][C:21]([F:24])=[C:20]([C:25]([F:27])([F:26])[F:28])[CH:19]=4)[N:15]=3)[CH2:30][CH2:31]2)[C:50]=1[C:51]#[N:52] | 1 |
FC(F)(F)C(O)=O.[CH3:8][C:9]1[CH:14]=[C:13]([C:15](=[O:28])[NH:16][CH:17]2[CH2:22][CH2:21][N:20]([CH2:23][C:24]([F:27])([F:26])[F:25])[CH2:19][CH2:18]2)[CH:12]=[CH:11][C:10]=1[C:29]1[CH:34]=[CH:33][C:32]([CH2:35][C@H:36]([NH:51][C:52]([C@H:54]2[CH2:59][CH2:58][C@H:57]([CH2:60][NH:61]C(=O)OC(C)(C)C)[CH2:56][CH2:55]2)=[O:53])[C:37](=[O:50])[NH:38][C:39]2[CH:44]=[CH:43][C:42]([C:45]3[N:46]=[N:47][NH:48][N:49]=3)=[CH:41][CH:40]=2)=[CH:31][CH:30]=1.[ClH:69]>O1CCOCC1>[ClH:69].[NH2:61][CH2:60][C@H:57]1[CH2:56][CH2:55][C@H:54]([C:52]([NH:51][C@H:36]([C:37](=[O:50])[NH:38][C:39]2[CH:44]=[CH:43][C:42]([C:45]3[N:46]=[N:47][NH:48][N:49]=3)=[CH:41][CH:40]=2)[CH2:35][C:32]2[CH:33]=[CH:34][C:29]([C:10]3[CH:11]=[CH:12][C:13]([C:15]([NH:16][CH:17]4[CH2:18][CH2:19][N:20]([CH2:23][C:24]([F:26])([F:27])[F:25])[CH2:21][CH2:22]4)=[O:28])=[CH:14][C:9]=3[CH3:8])=[CH:30][CH:31]=2)=[O:53])[CH2:59][CH2:58]1 | 2 |
[O-2].[O-2].[O-2].[O-2].[O-2].[V+5].[V+5].ClC1=C(C=O)C(=CC(=C1)Cl)O>>ClC1=C(C(=O)OC)C(=CC(=C1)Cl)O | 5 |
[C:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1)(=[O:3])[CH3:2].[CH:10]([C:12]1[CH:13]=[C:14]([Mg]Br)[CH:15]=[CH:16][CH:17]=1)=[CH2:11]>>[CH:10]([C:12]1[CH:13]=[C:14]([C:1]([OH:3])([C:4]2[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=2)[CH3:2])[CH:15]=[CH:16][CH:17]=1)=[CH2:11] | 1 |
[Cl:1][C:2]1[C:3]([CH2:8][S:9][CH2:10][CH2:11][NH2:12])=[N:4][CH:5]=[CH:6][CH:7]=1.CS[C:15](=[N:20][CH3:21])[S:16]([O-:19])(=[O:18])=[O:17]>C(#N)C>[Cl:1][C:2]1[C:3]([CH2:8][S:9][CH2:10][CH2:11][NH:12][C:15]([S:16]([OH:19])(=[O:17])=[O:18])=[N:20][CH2:21][CH2:10][S:9][CH2:8][C:3]2[C:2]([Cl:1])=[CH:7][CH:6]=[CH:5][N:4]=2)=[N:4][CH:5]=[CH:6][CH:7]=1 | 1 |
ClC=1C=C2C(=NC(=NC2=C(C1C1=CC(=CC2=CC=CC=C12)O)F)NCCC(=O)N(C)CCOCCOCCOCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1[C@@H](C[C@H](C1)O)C(N[C@@H](C)C1=CC=C(C=C1)C1=C(N=CS1)C)=O)N1CCN(CC1)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>ClC=1C=C2C(=NC(=NC2=C(C1C1=CC(=CC2=CC=CC=C12)O)F)NCCC(=O)N(CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1[C@@H](C[C@H](C1)O)C(=O)N[C@@H](C)C1=CC=C(C=C1)C1=C(N=CS1)C)C(C)(C)C)C)N1CCNCC1 | 3 |
ClC1=CC=NC2=CC(=C(C=C12)OC)OC.CC=1C=C(C(=NC1C)C1=NC=CC=C1)O>>COC=1C=C2C(=CC=NC2=CC1OC)OC=1C(=NC(=C(C1)C)C)C1=NC=CC=C1 | 5 |
C(C)C1=C(C(=CC(=C1)C)CC)C=1C(N(N=C(C1S(=O)(=O)C1=CC=C(C=C1)C)CO)C)=O>[OH-].[Na+].CN1C(N(CC1)C)=O>C(C)C1=C(C(=CC(=C1)C)CC)C=1C(N(N=C(C1O)CO)C)=O | 3 |
C(C)N1N=CC=C1N.C1(CCCCC1)C=C(C(=O)OC)C(=O)C1CC1>>C1(CCCCC1)C1=C2C(=NC(=C1C(=O)OC)C1CC1)N(N=C2)CC | 5 |
[CH:1]1([O:6][C:7]([NH:9][C:10]2[CH:11]=[C:12]3[C:16](=[CH:17][CH:18]=2)[N:15]([CH3:19])[CH:14]=[C:13]3[CH2:20][C:21]2[CH:29]=[CH:28][C:24]([C:25]([OH:27])=O)=[CH:23][C:22]=2[O:30][CH3:31])=[O:8])[CH2:5][CH2:4][CH2:3][CH2:2]1.[C:32]1([CH3:42])[C:33]([S:38]([NH2:41])(=[O:40])=[O:39])=[CH:34][CH:35]=[CH:36][CH:37]=1.Cl>CN(C)C1C=CN=CC=1.ClCCl>[CH3:42][C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=1[S:38]([NH:41][C:25]([C:24]1[CH:28]=[CH:29][C:21]([CH2:20][C:13]2[C:12]3[CH:11]=[C:10]([NH:9][C:7]([O:6][CH:1]4[CH2:5][CH2:4][CH2:3][CH2:2]4)=[O:8])[CH:18]=[CH:17][C:16]=3[N:15]([CH3:19])[CH:14]=2)=[C:22]([O:30][CH3:31])[CH:23]=1)=[O:27])(=[O:40])=[O:39].[CH2:1]([O-:6])[CH3:2] | 2 |
CN(C)CC1CC2=CC=C(C=C2CC1)OCC1=CC=C(C=C1)[N+](=O)[O-]>C1CCCO1.[Zn].C(C)(=O)O>NC1=CC=C(COC=2C=C3CCC(CC3=CC2)CN(C)C)C=C1 | 3 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.S1C(=CC=C1)CCN.NC=1SC(=CC1C(=O)OC)CC>ClCCl.CCN(CC)CC>C(C)C1=CC2=C(NC(N(C2=O)CCC=2SC=CC2)=O)S1 | 3 |
Cl[CH2:2][CH:3]([NH:22][C:23](=[O:32])[C:24]1[C:29]([F:30])=[CH:28][CH:27]=[CH:26][C:25]=1[F:31])[C:4]1[CH:9]=[CH:8][C:7]([C:10]2[CH:15]=[CH:14][C:13]([S:16]([CH:19]([F:21])[F:20])(=[O:18])=[O:17])=[CH:12][CH:11]=2)=[CH:6][CH:5]=1.[OH-].[Na+]>C(O)(C)C.O>[F:20][CH:19]([F:21])[S:16]([C:13]1[CH:14]=[CH:15][C:10]([C:7]2[CH:8]=[CH:9][C:4]([CH:3]3[CH2:2][O:32][C:23]([C:24]4[C:29]([F:30])=[CH:28][CH:27]=[CH:26][C:25]=4[F:31])=[N:22]3)=[CH:5][CH:6]=2)=[CH:11][CH:12]=1)(=[O:18])=[O:17] | 1 |
NCC(CO)O.[N+](=O)([O-])C1=C(C(=CC(=C1)C)[N+](=O)[O-])OC>O.CCO[H]>[N+](=O)([O-])C1=C(NCC(CO)O)C(=CC(=C1)C)[N+](=O)[O-] | 3 |
[CH3:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[CH:4][C:3]=1[N:9]1[CH2:14][CH2:13][N:12]([C:15]2[CH:16]=[C:17]([CH:21]3[CH2:30][C:29]([CH3:32])([CH3:31])[C:28]4[C:23](=[CH:24][CH:25]=[C:26]([C:33]([OH:35])=O)[CH:27]=4)[NH:22]3)[CH:18]=[CH:19][CH:20]=2)[CH2:11][CH2:10]1.[CH3:36][S:37]([NH2:40])(=[O:39])=[O:38]>CN(C)C1C=CN=CC=1.ClCCl>[CH3:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[CH:4][C:3]=1[N:9]1[CH2:14][CH2:13][N:12]([C:15]2[CH:16]=[C:17]([CH:21]3[CH2:30][C:29]([CH3:31])([CH3:32])[C:28]4[C:23](=[CH:24][CH:25]=[C:26]([C:33]([NH:40][S:37]([CH3:36])(=[O:39])=[O:38])=[O:35])[CH:27]=4)[NH:22]3)[CH:18]=[CH:19][CH:20]=2)[CH2:11][CH2:10]1 | 1 |
[N:1]1[N:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]2=[CH:3][C:2]=1[C:10]1[CH:11]=[C:12]([C:16]([OH:19])([CH3:18])[CH3:17])[CH:13]=[N:14][CH:15]=1.[Cl:20]N1C(=O)CCC1=O>C(#N)C>[Cl:20][C:3]1[C:2]([C:10]2[CH:11]=[C:12]([C:16]([OH:19])([CH3:17])[CH3:18])[CH:13]=[N:14][CH:15]=2)=[N:1][N:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=12 | 1 |
CS(=O)(=O)Cl.C(C)(C)(C)OC(=O)N1CCC(CC1)CO>C1CCCO1.CCN(CC)CC>C(C)(C)(C)OC(=O)N1CCC(CC1)COS(=O)(=O)C | 3 |
[CH2:1]([O:12][N+:13]([O-:15])=[O:14])[CH:2]([O:8][N+:9]([O-:11])=[O:10])[CH2:3][O:4][N+:5]([O-:7])=[O:6].OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.C(OC(C)C)(=O)CCCCCCCCCCCCCCC>O>[CH2:3]([O:4][N+:5]([O-:7])=[O:6])[CH:2]([O:8][N+:9]([O-:11])=[O:10])[CH2:1][O:12][N+:13]([O-:15])=[O:14] | 1 |
[N+:1]([C:4]1[CH:5]=[CH:6][CH:7]=[C:8]2[C:12]=1[NH:11][C:10]([C:13]([OH:15])=O)=[CH:9]2)([O-:3])=[O:2].[N:16]1(O)C2C=CC=CC=2N=N1.Cl.CN(C)CCCN=C=NCC.N>O.CN(C)C=O>[N+:1]([C:4]1[CH:5]=[CH:6][CH:7]=[C:8]2[C:12]=1[NH:11][C:10]([C:13]([NH2:16])=[O:15])=[CH:9]2)([O-:3])=[O:2] | 1 |
BrC=1C=C2C(=NC1)NC(N2)=O>>BrC=1C=C2C(=NC1)NC(=N2)Cl | 5 |
C(N1CCN(C2SC(C(O)=O)=C(C)N=2)C1=O)C1C=CC=CC=1.[CH3:23][C:24]1[N:25]=[C:26]([N:32]2[CH2:36][CH2:35][N:34]([CH2:37][C:38]3[CH:43]=[CH:42][C:41]([C:44]([F:47])([F:46])[F:45])=[CH:40][CH:39]=3)[C:33]2=[O:48])[S:27][C:28]=1[C:29]([OH:31])=O.[NH2:49][CH2:50][C:51]1[CH:52]=[N:53][CH:54]=[CH:55][CH:56]=1>>[CH3:23][C:24]1[N:25]=[C:26]([N:32]2[CH2:36][CH2:35][N:34]([CH2:37][C:38]3[CH:43]=[CH:42][C:41]([C:44]([F:45])([F:46])[F:47])=[CH:40][CH:39]=3)[C:33]2=[O:48])[S:27][C:28]=1[C:29]([NH:49][CH2:50][C:51]1[CH:52]=[N:53][CH:54]=[CH:55][CH:56]=1)=[O:31] | 1 |
[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[F:8][C:9]([F:14])([F:13])[C:10]([OH:12])=[O:11].FC(F)(F)C(O)=O.[Cl:22][C:23]1[CH:24]=[N:25][C:26]2[NH:27][C:28]3[CH:29]=[N:30][CH:31]=[C:32]([CH:54]=3)[CH2:33][CH2:34][C:35]3[CH:43]=[C:39]([NH:40][C:41]=1[N:42]=2)[CH:38]=[CH:37][C:36]=3[NH:44][C:45](=[O:53])[CH2:46][C@@H:47]1[CH2:52][CH2:51][CH2:50][NH:49][CH2:48]1.[CH3:55][C:56]1[O:60][N:59]=[C:58]([C:61](Cl)=[O:62])[CH:57]=1>>[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[F:8][C:9]([F:14])([F:13])[C:10]([OH:12])=[O:11].[Cl:22][C:23]1[CH:24]=[N:25][C:26]2[NH:27][C:28]3[CH:29]=[N:30][CH:31]=[C:32]([CH:54]=3)[CH2:33][CH2:34][C:35]3[CH:43]=[C:39]([NH:40][C:41]=1[N:42]=2)[CH:38]=[CH:37][C:36]=3[NH:44][C:45](=[O:53])[CH2:46][C@@H:47]1[CH2:52][CH2:51][CH2:50][N:49]([C:61]([C:58]2[CH:57]=[C:56]([CH3:55])[O:60][N:59]=2)=[O:62])[CH2:48]1 | 1 |
FC=1C=C(N)C=CC1F.C(C=C)NC(C(=O)C=1C(=C(N(C1C)C)C(=O)O)C)=O>C1(=CC=CC=C1)C.ClS(Cl)=O.CN(C(C)=O)C>C(C=C)NC(C(=O)C=1C(=C(N(C1C)C)C(=O)NC1=CC(=C(C=C1)F)F)C)=O | 3 |
BrC=1C=C(C=CC1)O.CN(S(=O)(=O)C1=CC=C(C=C1)C)C(F)(F)F>ClCCCl.FC(S(=O)(=O)O)(F)F>BrC=1C=C(C=CC1SC(F)(F)F)O | 3 |
C(=O)=O.BrC1=CC=C(C=C1)OC(F)(F)F>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>BrC=1C=CC(=C(C(=O)O)C1)OC(F)(F)F | 3 |
BrC1CCCC2=CC=CC=C12.C(C)(C)C1=C(C=CC=C1)C1N(C(CNC1)=O)C1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C>N(C)(C)C=O.[Cl-].[NH4+].C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)C1=C(C=CC=C1)C1N(C(CN(C1)C1CCCC2=CC=CC=C12)=O)C1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C | 3 |
C(C)(C)(C)OC(=O)N([C@H](C(O)C1C(N(CC1)C(=O)OC(C)(C)C)=O)C)C>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>C(C)(C)(C)OC(=O)N([C@H](C(OS(=O)(=O)C)C1C(N(CC1)C(=O)OC(C)(C)C)=O)C)C | 3 |
[NH2:1][C:2]1[O:3][C:4]2[C:9]([CH:10]([C:14]3[CH:19]=[C:18]([O:20][CH3:21])[C:17]([O:22][CH3:23])=[C:16]([Br:24])[CH:15]=3)[C:11]=1[C:12]#[N:13])=[CH:8][CH:7]=[C:6]([NH2:25])[CH:5]=2.C(N(CC)C(C)C)(C)C.[Cl:35][CH2:36][C:37](Cl)=[O:38]>ClCCl.O.C(OCC)(=O)C>[NH2:1][C:2]1[O:3][C:4]2[C:9]([CH:10]([C:14]3[CH:19]=[C:18]([O:20][CH3:21])[C:17]([O:22][CH3:23])=[C:16]([Br:24])[CH:15]=3)[C:11]=1[C:12]#[N:13])=[CH:8][CH:7]=[C:6]([NH:25][C:37](=[O:38])[CH2:36][Cl:35])[CH:5]=2 | 1 |
[CH3:1][N:2]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[C:5](=[O:6])[C:3]1=[O:4].[N+:13]([CH3:16])([O-:15])=[O:14]>O>[OH:6][C:5]1([CH2:16][N+:13]([O-:15])=[O:14])[C:7]2[C:12](=[CH:11][CH:10]=[CH:9][CH:8]=2)[N:2]([CH3:1])[C:3]1=[O:4] | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][N:3]=1.[Cl:8][CH2:9][C:10](=O)[CH2:11]Cl>C(#N)C>[Cl:8][CH2:9][C:10]1[N:1]=[C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][N:3]2[CH:11]=1 | 1 |
C(C)(C)(C)OC(=O)N1C[C@H]2CC3=CC(=C(N=C3N2[C@@H](C1)C)CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)Br>>C(C)(C)(C)OC(=O)N1C[C@H]2CC3=CC(=C(N=C3N2[C@@H](C1)C)CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C=O | 5 |
C(C)OC(=C)[Sn](CCCC)(CCCC)CCCC.ClC1=CC=C2C=NN(C2=C1[N+](=O)[O-])C>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].O1CCOCC1>C(C)OC(=C)C1=CC=C2C=NN(C2=C1[N+](=O)[O-])C | 3 |
Cl.Cl.[N:3]1[CH:8]=[CH:7][C:6]([C:9]2[N:13]=[C:12]([CH2:14][NH2:15])[NH:11][N:10]=2)=[CH:5][CH:4]=1.[C:16]([O:22][C:23]1[CH:31]=[C:30]([O:32][C:33](=[O:38])[C:34]([CH3:37])([CH3:36])[CH3:35])[CH:29]=[CH:28][C:24]=1[C:25](O)=[O:26])(=[O:21])[C:17]([CH3:20])([CH3:19])[CH3:18].O.ON1C2C=CC=CC=2N=N1.C(N(CC)CC)C>CN(C=O)C.C1COCC1>[CH3:35][C:34]([CH3:37])([CH3:36])[C:33]([O:32][C:30]1[CH:29]=[CH:28][C:24]([C:25](=[O:26])[NH:15][CH2:14][C:12]2[NH:11][N:10]=[C:9]([C:6]3[CH:5]=[CH:4][N:3]=[CH:8][CH:7]=3)[N:13]=2)=[C:23]([O:22][C:16](=[O:21])[C:17]([CH3:20])([CH3:19])[CH3:18])[CH:31]=1)=[O:38] | 2 |
C(C1=CC=CC=C1)(=O)C1C(CCCC1)=O.N[C@H](C(=O)OCC)CC1=CC=C(C=C1)C1=CC(=CC=C1)NC>>C(C1=CC=CC=C1)(=O)C1=C(C=CC=C1)N[C@H](C(=O)OCC)CC1=CC=C(C=C1)C1=CC(=CC=C1)NC | 5 |
C(C)(C)(C)OC(=O)N1C=C(C2=CC=CC=C12)CC(C)N(S(=O)(=O)C1=C(C=C(C=C1C)C)C)C>ClCCCl>N1C=C(C2=CC=CC=C12)CC(C)N(S(=O)(=O)C1=C(C=C(C=C1C)C)C)C | 3 |
C1(=CC=CC=C1)C1=NN(C(=C1)C1=CC=CC=C1)CC1=C(C=C(C(=O)OC)C=C1)OC(C)C>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C1(=CC=CC=C1)C1=NN(C(=C1)C1=CC=CC=C1)CC1=C(C=C(C=C1)CO)OC(C)C | 3 |
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