smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C(=O)O)(=O)O.C(C1=CC=CC=C1)N1CCC(CC1)(C=1SC=C(N1)C)N(C(CC)=O)C1=C(C=CC=C1)C>>C(C(=O)O)(=O)O.C(C1=CC=CC=C1)N1CCC(CC1)(C=1SC=C(N1)C)N(C(CC)=O)C1=C(C=CC=C1)C | 5 |
[C:1]([CH2:5][C:6]([NH:8][N:9]1[CH:15]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[CH2:14][CH:13]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[CH2:12][CH:11]([N:28]=[N+]=[N-])[C:10]1=[O:31])=[O:7])([CH3:4])([CH3:3])[CH3:2]>C(O)C.C(Cl)Cl.CO.C(OCC)(=O)C.[Pd].[H+].[H+].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[K+].[I-].[Pt]>[C:1]([CH2:5][C:6]([NH:8][N:9]1[CH:15]([C:16]2[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=2)[CH2:14][CH:13]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[CH2:12][CH:11]([NH2:28])[C:10]1=[O:31])=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
C(C)(C)(C)OC(=O)N1[C@@H](CN[C@H](C1)CO)C.ClC=1C2=C(N(C(N1)=O)C)C=CC(=N2)Cl>CC#N.C(C)(C)N(C(C)C)CC>C(C)(C)(C)OC(=O)N1[C@@H](CN([C@H](C1)CO)C=1C2=C(N(C(N1)=O)C)C=CC(=N2)Cl)C | 3 |
FC1(CC(C1)C(=O)NC1=C(C=CC=C1)[N+](=O)[O-])F>CO[H].CCO[H].[HH].C(C)(=O)OCC.[Pd].C(C)(=O)O>FC1(CC(C1)C1=NC2=C(N1)C=CC=C2)F | 3 |
C(=O)(OC(C)(C)C)N1CCNCC1.BrC1=C(C=C2C(=NC(=NC2=C1)Cl)O)Cl>ClCCl.C(C)(C)N(C(C)C)CC.CS(=O)(=O)OS(=O)(=O)C>BrC1=C(C=C2C(=NC(=NC2=C1)Cl)N1CCN(CC1)C(=O)OC(C)(C)C)Cl | 3 |
[Cl:1][C:2]1[CH:22]=[CH:21][C:5]([C:6]([NH:8][C:9]2[CH:18]=[C:17]3[C:12]([CH2:13][CH2:14][C:15](=[O:20])[N:16]3[CH3:19])=[CH:11][CH:10]=2)=[O:7])=[C:4]([NH:23][CH2:24][CH2:25][OH:26])[CH:3]=1.C(N(C(C)C)CC)(C)C.[CH3:36][S:37](Cl)(=[O:39])=[O:38]>O1CCCC1>[CH3:36][S:37]([O:26][CH2:25][CH2:24][NH:23][C:4]1[CH:3]=[C:2]([Cl:1])[CH:22]=[CH:21][C:5]=1[C:6](=[O:7])[NH:8][C:9]1[CH:18]=[C:17]2[C:12]([CH2:13][CH2:14][C:15](=[O:20])[N:16]2[CH3:19])=[CH:11][CH:10]=1)(=[O:39])=[O:38] | 1 |
N1C=CC=2C(=CC=CC12)C(=O)OC.BrCCOC1OCCCC1>N(C)(C)C=O.[H-].[Na+]>COC(=O)C=1C=2C=CN(C2C=CC1)CCOC1OCCCC1 | 3 |
C(OC([N:8]([CH2:25][C@H:26]1[CH2:35][CH2:34][C:33]2[C:28](=[CH:29][CH:30]=[C:31]([C:36]3[CH:37]=[C:38]([CH:42]=[CH:43][CH:44]=3)[C:39](O)=[O:40])[CH:32]=2)[O:27]1)[CH2:9][C@H:10]([O:17][Si](C(C)(C)C)(C)C)[C:11]1[CH:12]=[N:13][CH:14]=[CH:15][CH:16]=1)=O)(C)(C)C.CN(C1C=CC=CN=1)C.[CH3:54][S:55]([NH2:58])(=[O:57])=[O:56].Cl>C(Cl)Cl.O1CCOCC1>[OH:17][C@H:10]([C:11]1[CH:12]=[N:13][CH:14]=[CH:15][CH:16]=1)[CH2:9][NH:8][CH2:25][C@H:26]1[CH2:35][CH2:34][C:33]2[C:28](=[CH:29][CH:30]=[C:31]([C:36]3[CH:37]=[C:38]([CH:42]=[CH:43][CH:44]=3)[C:39]([NH:58][S:55]([CH3:54])(=[O:57])=[O:56])=[O:40])[CH:32]=2)[O:27]1 | 1 |
O1C(=CC=C1)C(=O)Cl.NC1=CC=C(C=C1)C=1SC2=C(N1)C=CC(=C2)C>>O1C(=CC=C1)C(=O)NC1=CC=C(C=C1)C=1SC2=C(N1)C=CC(=C2)C | 5 |
C(C)(=O)OC\1C(CCC(CC(=O)OC(C(/C=C1)C)\C(=C\C=CCCCCCCCC)\C)OC(C)OCC)(C)OC(C)OCC>CO[H].C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>C(C)(=O)OC\1C(CCC(CC(=O)OC(C(/C=C1)C)\C(=C\C=CCCCCCCCC)\C)O)(C)O | 3 |
ClC=1N=C(C2=C(N1)CCC2)Cl.FC=1C=C(C=CC1)N1N=C(N=C1)CNC>>ClC=1N=C(C2=C(N1)CCC2)N(C)CC2=NN(C=N2)C2=CC(=CC=C2)F | 5 |
COC([C:5]1[S:6](=[O:21])(=[O:20])[N:7]([CH2:16][CH:17]([F:19])[F:18])[C:8]2[C:13]([C:14]=1[OH:15])=[N:12][CH:11]=[CH:10][N:9]=2)=O.Cl>C(O)C>[F:19][CH:17]([F:18])[CH2:16][N:7]1[C:8]2[C:13](=[N:12][CH:11]=[CH:10][N:9]=2)[C:14](=[O:15])[CH2:5][S:6]1(=[O:20])=[O:21] | 1 |
[Br:1][C:2]1[C:7]([CH3:8])=[CH:6][C:5]([OH:9])=[CH:4][C:3]=1[CH3:10].C(=O)([O-])[O-].[K+].[K+].[CH3:17][O:18][CH2:19]Cl>C(#N)C>[Br:1][C:2]1[C:7]([CH3:8])=[CH:6][C:5]([O:9][CH2:17][O:18][CH3:19])=[CH:4][C:3]=1[CH3:10] | 2 |
[NH2:1][C:2]1[N:6]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)[N:5]=[C:4]([C:13]([CH3:17])([CH3:16])[C:14]#N)[CH:3]=1.[OH-:18].[Na+].CC[OH:22]>>[NH2:1][C:2]1[N:6]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)[N:5]=[C:4]([C:13]([CH3:17])([CH3:16])[C:14]([OH:22])=[O:18])[CH:3]=1 | 1 |
[C:1]([O:5][C:6](=[O:28])[CH2:7][N:8]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[N:10]=[C:9]1[S:17][CH2:18][CH2:19][NH:20]C(OC(C)(C)C)=O)([CH3:4])([CH3:3])[CH3:2].[ClH:29]>CCOC(C)=O>[Cl-:29].[C:1]([O:5][C:6]([CH2:7][N:8]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[N:10]=[C:9]1[S:17][CH2:18][CH2:19][NH3+:20])=[O:28])([CH3:4])([CH3:3])[CH3:2] | 1 |
Cl.[F:2][C:3]1[CH:8]=[CH:7][C:6]([CH2:9][N:10]2[CH2:15][CH2:14][C:13]3([CH2:20][N:19]([C:21]([C:23]4[N:24]=[C:25]([CH:28]([CH3:30])[CH3:29])[S:26][CH:27]=4)=[O:22])[CH2:18][CH2:17][O:16]3)[CH2:12][CH2:11]2)=[CH:5][C:4]=1[CH:31]=[CH:32]OC.CC1CCCO1.Cl.[NH2:42][CH2:43][C@@H:44]([C:46]1[C:54]2[S:53][C:52](=[O:55])[NH:51][C:50]=2[C:49]([OH:56])=[CH:48][CH:47]=1)[OH:45].S([O-])([O-])(=O)=O.[Na+].[Na+].[H][H]>[Ir].CN1CCCC1=O>[F:2][C:3]1[CH:8]=[CH:7][C:6]([CH2:9][N:10]2[CH2:11][CH2:12][C:13]3([O:16][CH2:17][CH2:18][N:19]([C:21]([C:23]4[N:24]=[C:25]([CH:28]([CH3:30])[CH3:29])[S:26][CH:27]=4)=[O:22])[CH2:20]3)[CH2:14][CH2:15]2)=[CH:5][C:4]=1[CH2:31][CH2:32][NH:42][CH2:43][C@@H:44]([C:46]1[C:54]2[S:53][C:52](=[O:55])[NH:51][C:50]=2[C:49]([OH:56])=[CH:48][CH:47]=1)[OH:45] | 2 |
CC1=CC=CC(=N1)C(C)O>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>CC1=CC=CC(=N1)C(C)=O | 3 |
C(#N)C1=CC=C(C=C1)B(O)O.BrC1=CC=C2C(=C(N=NC2=C1)CCN1[C@@H](CCC1)C)O>>OC1=C(N=NC2=CC(=CC=C12)C1=CC=C(C#N)C=C1)CCN1[C@@H](CCC1)C | 5 |
ClC1=CC=C2COC(=O)C2=C1>O.Cl.[C-]#N.[K+]>ClC1=CC(=C(C=C1)CC#N)C(=O)O | 3 |
NC=1C(=NC(=CC1NC)C1=CC(=C(C=C1)OCC=1C=NC=CC1)C(F)(F)F)C#N>O.Cl.O1CCOCC1.N(=O)[O-].[Na+]>CN1N=NC=2C(=NC(=CC21)C2=CC(=C(C=C2)OCC=2C=NC=CC2)C(F)(F)F)C#N | 3 |
FC=1C=NC(=NC1)N1CCC(CC1)NC(OC1=CC=C(C=C1)[N+](=O)[O-])=O.Cl.N1CC(C1)OC1=CC(=CC2=C1N=CS2)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>FC=1C=C(C2=C(N=CS2)C1)OC1CN(C1)C(=O)NC1CCN(CC1)C1=NC=C(C=N1)F | 3 |
[CH:1]([O-])([O-])OCC.[NH2:7][CH2:8][CH2:9][NH:10][CH2:11][CH2:12][CH2:13][Si:14]([O:21][CH2:22][CH3:23])([O:18][CH2:19][CH3:20])[O:15][CH2:16][CH3:17]>C(O)C>[CH2:19]([O:18][Si:14]([O:21][CH2:22][CH3:23])([O:15][CH2:16][CH3:17])[CH2:13][CH2:12][CH2:11][N:10]1[CH2:9][CH2:8][N:7]=[CH:1]1)[CH3:20] | 1 |
[N:1]1([C:6]2[N:11]3[CH:12]=[C:13]([CH2:15][N:16]([CH:29]4[C:38]5[N:37]=[CH:36][CH:35]=[CH:34][C:33]=5[CH2:32][CH2:31][CH2:30]4)[CH2:17][CH2:18][CH2:19][CH2:20][NH:21]C(=O)OC(C)(C)C)[N:14]=[C:10]3[CH:9]=[CH:8][CH:7]=2)[CH2:5][CH2:4][CH2:3][CH2:2]1.FC(F)(F)C(O)=O>ClCCl>[N:1]1([C:6]2[N:11]3[CH:12]=[C:13]([CH2:15][N:16]([CH:29]4[C:38]5[N:37]=[CH:36][CH:35]=[CH:34][C:33]=5[CH2:32][CH2:31][CH2:30]4)[CH2:17][CH2:18][CH2:19][CH2:20][NH2:21])[N:14]=[C:10]3[CH:9]=[CH:8][CH:7]=2)[CH2:5][CH2:4][CH2:3][CH2:2]1 | 2 |
COC(C=C(C)NC1CCCCC1)=O.ClC1=C(C(=CC(=C1)Cl)Cl)OC(C(C(=O)OC1=C(C=C(C=C1Cl)Cl)Cl)C)=O>>C1(CCCCC1)N1C(=C(C(=C(C1=O)C)O)C(=O)OC)C | 5 |
ClC1=NC(=NC(=C1C(C(F)(F)F)(F)F)Cl)N=CN(C)C>Cl.C(C)(C)O>ClC1=NC(=NC(=C1C(C(F)(F)F)(F)F)Cl)N | 3 |
C[O:2][C:3](=[O:36])[CH2:4][C:5]1[C:13]2[C:8](=[CH:9][C:10]([O:14][CH2:15][C:16]3[C:20]([CH2:21][O:22][CH2:23][CH3:24])=[C:19]([C:25]4[CH:30]=[CH:29][C:28]([C:31]([F:34])([F:33])[F:32])=[CH:27][CH:26]=4)[O:18][N:17]=3)=[CH:11][CH:12]=2)[N:7]([CH3:35])[CH:6]=1.[OH-].[Li+].O1CCCC1.Cl>CO>[CH2:23]([O:22][CH2:21][C:20]1[C:16]([CH2:15][O:14][C:10]2[CH:9]=[C:8]3[C:13]([C:5]([CH2:4][C:3]([OH:36])=[O:2])=[CH:6][N:7]3[CH3:35])=[CH:12][CH:11]=2)=[N:17][O:18][C:19]=1[C:25]1[CH:26]=[CH:27][C:28]([C:31]([F:33])([F:34])[F:32])=[CH:29][CH:30]=1)[CH3:24] | 2 |
OC(C(Cl)(Cl)Cl)NC(C=1C(N)=CC=C(C1)C(=O)OC)=O>S(O)(O)(=O)=O>O=C1NC(NC2=CC=C(C=C12)C(=O)O)C(Cl)(Cl)Cl | 3 |
Br[C:2]1[S:6][C:5]2[C:7]([Br:11])=[C:8](Br)[S:9][C:4]=2[C:3]=1[Br:12].[C:13]1([Li])[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.C([O:24][CH2:25][CH2:26][CH2:27][CH3:28])CCC.[C:29](Cl)(=[O:51])[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50]>C1COCC1>[Br:12][C:3]1[C:4]2[S:9][C:8]([C:25](=[O:24])[CH2:26][CH2:27][CH2:28][CH2:40][CH2:39][CH2:38][CH2:37][CH2:36][CH2:35][CH2:34][CH2:33][CH2:32][CH2:31][CH2:30][CH2:29][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:13])=[C:7]([Br:11])[C:5]=2[S:6][C:2]=1[C:29](=[O:51])[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50] | 1 |
COCC1=NN(C=C1N)C.IC1=NN(C2=CC(=CC=C12)C(C)(C)O)C(C)C>O.O1CCOCC1.CC(C)(C)[O-].[Na+].CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C.CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.COc3ccc(OC)c(c3P(C4CCCCC4)C5CCCCC5)-c6c(cc(cc6C(C)C)C(C)C)C(C)C>COCC1=NN(C=C1NC1=NN(C2=CC(=CC=C12)C(C)(C)O)C(C)C)C | 3 |
CN=C=O.C1(=CC=CC=C1)P1(NCC2=C1C=CC=C2)=O>CC#N>C1(=CC=CC=C1)P1(N(CC2=C1C=CC=C2)C(=O)NC)=O | 3 |
CC=1OC2=C(N1)C(=CC=C2)[N+](=O)[O-]>[Fe].C(C)(=O)O.C(C)(=O)OCC>NC1=CC=CC2=C1N=C(O2)C | 3 |
ClC1=CC=C(C=C1)C(C=1C=C2C(=CC(N(C2=CC1)C)=O)C=1SC=C(N1)C1=CC=CC=C1)O>ClS(Cl)=O>ClC(C=1C=C2C(=CC(N(C2=CC1)C)=O)C=1SC=C(N1)C1=CC=CC=C1)C1=CC=C(C=C1)Cl | 3 |
COC=1C=[N+](C=2C3C(NC(C2C1)=O)C1C=CC3C1)[O-]>C1(=CC=CC=C1)C.CO[H]>COC=1C=[N+](C=2C=CNC(C2C1)=O)[O-] | 3 |
O=C1CC[C@H](N1CC1=CC=CC=C1)C(=O)OC>O.CO[H].[OH-].[Na+]>C(C1=CC=CC=C1)N1[C@@H](CCC1=O)C(=O)O | 3 |
N1=CC=CC2=CC=C(C=C12)C(=O)OC>CO[H].[HH].[Pt](=O)=O>N1CCCC2=CC=C(C=C12)C(=O)OC | 3 |
BrCC(=O)OCC.FC1=C(C=CC=C1)S.ClC1=C(C=C(C=C1)Cl)SCC(=O)O>>FC1=C(C=CC=C1)SCC(=O)O | 5 |
CC(=O)C1=CC(=C(C=C1)F)C(F)(F)F>CC#N.C1CCNC1.C([O-])([O-])=O.[K+].[K+]>N1(CCCC1)C1=C(C=C(C=C1)C(C)=O)C(F)(F)F | 3 |
N(=[N+]=[N-])[C@H](C(=O)NC=1C=NC=C(C1CC[C@@H](CN(C(OC(C)(C)C)=O)C[C@H](C)O)NS(=O)(=O)C1CC1)F)[C@@H](C1=CC=C(C=C1)F)C1=CC(=CC(=C1)F)F>>N(=[N+]=[N-])[C@H](C(=O)NC=1C=NC=C(C1CC[C@H]1CN(C[C@H](N1S(=O)(=O)C1CC1)C)C(=O)OC(C)(C)C)F)[C@@H](C1=CC=C(C=C1)F)C1=CC(=CC(=C1)F)F | 5 |
C(C1=CC=CC=C1)N(C1=C(C(=NC=N1)NC=1C=CC(=C(C1)N(C(OC(C)(C)C)=O)C)OCCOC)[N+](=O)[O-])CC1=CC=CC=C1>O.C1CCCO1.[Fe].CCO[H].[Cl-].[NH4+]>NC=1C(=NC=NC1N(CC1=CC=CC=C1)CC1=CC=CC=C1)NC=1C=CC(=C(C1)N(C(OC(C)(C)C)=O)C)OCCOC | 3 |
Cl.[C:2]([C@H:5]1[C@H:9]([CH2:10][O:11][C:12]2[C:17]([CH3:18])=[C:16]([O:19][CH2:20][CH2:21][CH3:22])[CH:15]=[CH:14][C:13]=2[CH:23]=[C:24]2[C:28](=[O:29])[N:27]([C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=3)[NH:26][C:25]2=[O:36])[O:8]C(C)(C)[O:6]1)([OH:4])=[O:3]>C1COCC1>[C:2]([C@H:5]([OH:6])[C@@H:9]([OH:8])[CH2:10][O:11][C:12]1[C:17]([CH3:18])=[C:16]([O:19][CH2:20][CH2:21][CH3:22])[CH:15]=[CH:14][C:13]=1[CH:23]=[C:24]1[C:28](=[O:29])[N:27]([C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)[NH:26][C:25]1=[O:36])([OH:4])=[O:3] | 2 |
[CH2:1]([NH2:3])[CH3:2].[CH3:4][C:5]1[N:6]=[C:7]([NH:17][C:18](=[NH:22])SCC)[S:8][C:9]=1[C:10]1[CH:15]=[C:14]([CH3:16])[CH:13]=[CH:12][N:11]=1>C(O)C>[CH2:1]([NH:3][C:18]([NH:17][C:7]1[S:8][C:9]([C:10]2[CH:15]=[C:14]([CH3:16])[CH:13]=[CH:12][N:11]=2)=[C:5]([CH3:4])[N:6]=1)=[NH:22])[CH3:2] | 1 |
C(C=C)(=O)OCC.N1=CN=C2N=CNC2=C1N>CCO[H].[Na]>NC1=C2N=CN(C2=NC=N1)CCC(=O)OCC | 3 |
[Br:1][C:2]1[CH:11]=[C:10]2[C:5]([N:6]=[CH:7][C:8](=[O:12])[NH:9]2)=[CH:4][CH:3]=1.[CH3:13][Si](C=[N+]=[N-])(C)C.C(N(CC)CC)C>CO.C(#N)C.ClCCl>[Br:1][C:2]1[CH:11]=[C:10]2[C:5]([N:6]=[CH:7][C:8]([O:12][CH3:13])=[N:9]2)=[CH:4][CH:3]=1 | 2 |
C(C)(C)I.ClC1=CC=C(CN2CCN(CC2)C=2NC3=CC=C(C=C3C2)C(=O)N)C=C1>>ClC1=CC=C(CN2CCN(CC2)C=2N(C3=CC=C(C=C3C2)C(=O)N)C(C)C)C=C1 | 5 |
[NH2:1][C:2]1[N:7]=[C:6](Cl)[C:5]([C:9]#[N:10])=[C:4]([CH3:11])[N:3]=1.[NH2:12][C@H:13]([C:15]1[N:20]=[C:19]2[CH:21]=[CH:22][N:23]([CH3:24])[C:18]2=[CH:17][C:16]=1[N:25]1[CH2:29][CH2:28][C@H:27]([N:30]([CH3:38])[C:31](=[O:37])[O:32][C:33]([CH3:36])([CH3:35])[CH3:34])[CH2:26]1)[CH3:14].C(N(CC)CC)C>CS(C)=O>[NH2:1][C:2]1[N:7]=[C:6]([NH:12][C@H:13]([C:15]2[N:20]=[C:19]3[CH:21]=[CH:22][N:23]([CH3:24])[C:18]3=[CH:17][C:16]=2[N:25]2[CH2:29][CH2:28][C@H:27]([N:30]([CH3:38])[C:31](=[O:37])[O:32][C:33]([CH3:35])([CH3:34])[CH3:36])[CH2:26]2)[CH3:14])[C:5]([C:9]#[N:10])=[C:4]([CH3:11])[N:3]=1 | 1 |
C(C1=CC=CC=C1)N1C(C(OCC1CO)(C)C)=O>>C(C1=CC=CC=C1)N1C(COC(C1)(C)C)CO | 5 |
BrC=1C=C2C=CC=NC2=CC1.FC1=CC=2C3=C(NC2C=C1)C1CCN(C3)CC1>>FC1=CC=2C3=C(N(C2C=C1)C=1C=C2C=CC=NC2=CC1)C1CCN(C3)CC1 | 3 |
CC1(N(CCN(C1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC>O.C1CCCO1.CO[H].O[Li].O>C(C)(C)(C)OC(=O)N1C(CN(CC1)C(=O)OC(C)(C)C)(C(=O)O)C | 3 |
FC1=C(C=C(C(=C1)C)B1OC(C(O1)(C)C)(C)C)N.ClC=1C=C(C=2N(N1)C=CN2)C=2CCOCC2>O.C1CCCO1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].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>O1CCC(=CC1)C=1C=2N(N=C(C1)C=1C(=CC(=C(N)C1)F)C)C=CN2 | 3 |
NC1=CC=CC=C1.CN1C=CC=2N=CN=C(C21)OC2=CC=C(N)C=C2>N(C)(C)C=O.C(=O)(C=1NC=CN1)C=1NC=CN1>CN1C=CC=2N=CN=C(C21)OC2=CC=C(C=C2)NC(=O)NC2=CC=CC=C2 | 3 |
C(C)(=O)OC1=CC=C(C=C)C=C1>>C(C)(=O)OC1=CC=C(C2CO2)C=C1 | 5 |
NC1=C(CC[C@@H]2N(C(OC2)(C)C)C(=O)OC(C)(C)C)C(=CC=C1)F.N(=[N+]=[N-])[C@H](C(=O)O)C(C1=CC(=CC=C1)F)C1=CC(=CC=C1)F>c1ccncc1.P(=O)(Cl)(Cl)Cl>N(=[N+]=[N-])[C@H](C(=O)NC1=C(CC[C@@H]2N(C(OC2)(C)C)C(=O)OC(C)(C)C)C(=CC=C1)F)C(C1=CC(=CC=C1)F)C1=CC(=CC=C1)F | 3 |
O([K])C#N.CC=1C=C(C=C(C1)NC1=NC=CC(=N1)C(F)(F)F)C1=CN=C(S1)C1(CCNCC1)O>O.C1CCCO1.Cl>OC1(CCN(CC1)C(=O)N)C=1SC(=CN1)C1=CC(=CC(=C1)NC1=NC=CC(=N1)C(F)(F)F)C | 3 |
COC1=CC=C(COC2=CC(=CC(=N2)C2=C3SC=4C=CC(=CC4CC3=CC=C2)NC(OC(C)(C)C)=O)N2CCOCC2)C=C1>C(=O)(C(F)(F)F)O>NC1=CC=C2SC=3C(=CC=CC3CC2=C1)C1=CC(=CC(N1)=O)N1CCOCC1 | 3 |
C(C)(C)(C)OC(NC=1C(=NC=C(C1)C(NC1=CC(=CC=C1)C1(CC1)C#N)=O)C)=O>Cl.[HH]>NC=1C(=NC=C(C(=O)NC2=CC(=CC=C2)C2(CC2)C#N)C1)C | 3 |
C(C=C)OC1=CC(=CC2=CC=CC=C12)SCC1=CC(=NN1C)CSCC1=NN2C(CN(CC2)C(=O)OC(C)(C)C)=C1C=1C(=CC=C2C(=C(N(C12)C)C(=O)OC)CCC(=O)OC)Cl>ClCCl.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C1(=CC=CC=C1)[SiH3]>ClC1=CC=C2C(=C(N(C2=C1C=1C(=NN2C1CN(CC2)C(=O)OC(C)(C)C)CSCC2=NN(C(=C2)CSC2=CC1=CC=CC=C1C(=C2)O)C)C)C(=O)OC)CCC(=O)OC | 3 |
C(C)(C)(C)[Si](C)(C)Cl.OCC1=NC=CC=C1O>>[Si](C)(C)(C(C)(C)C)OCC1=NC=CC=C1O | 5 |
C(CC)N1N=CC(=C1)C#C[Si](C)(C)C>CO[H].C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>C(#C)C=1C=NN(C1)CCC | 3 |
[F:1][C:2]1[CH:3]=[C:4]([I:18])[CH:5]=[C:6]2[C:11]=1[N:10]=[CH:9][C:8]([C:12]([O:14][CH2:15][CH3:16])=[O:13])=[C:7]2[OH:17].[C:19]([O-])([O-])=O.[K+].[K+].CI>CN(C=O)C>[F:1][C:2]1[CH:3]=[C:4]([I:18])[CH:5]=[C:6]2[C:11]=1[N:10]([CH3:19])[CH:9]=[C:8]([C:12]([O:14][CH2:15][CH3:16])=[O:13])[C:7]2=[O:17] | 1 |
C1(=CC=CC=C1)C=1C=NC=C(C(=O)O)C1.NC1=C(C(=O)OC)C=CC(=C1)C1=C(C=CC=C1)N(CC)C(=O)OC(C)(C)C>N(C)(C)C=O.C1CCCO1.c1ccncc1.C(C(=O)Cl)(=O)Cl>C(C)(C)(C)OC(=O)N(C1=C(C=CC=C1)C1=CC(=C(C(=O)OC)C=C1)NC(=O)C=1C=NC=C(C1)C1=CC=CC=C1)CC | 3 |
Cl.NC1(CS(C1)(=O)=O)C.FC(OC=1C=C(C=CC1)C1=NN(C=2C1=NC=C(C2)C(=O)O)C2CCN(CC2)C)F>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>FC(OC=1C=C(C=CC1)C1=NN(C=2C1=NC=C(C2)C(=O)NC2(CS(C2)(=O)=O)C)C2CCN(CC2)C)F | 3 |
CO.[CH3:3][NH:4][NH2:5].CN([CH:9]=[C:10]1[C:15](=[O:16])[CH2:14][CH2:13][CH2:12][C:11]1=O)C>C(OCC)(=O)C>[CH3:3][N:4]1[CH:11]2[CH:10]([C:15](=[O:16])[CH2:14][CH2:13][CH2:12]2)[CH:9]=[N:5]1 | 1 |
O=C1C2C(=CC=CC=2)C(=O)[N:3]1[O:12][C@@H:13]([CH3:21])[C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15].CNN>C(Cl)Cl>[NH2:3][O:12][C@@H:13]([CH3:21])[C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15] | 1 |
[C-]#N.[Zn+2].[C-]#N.BrC1=C2CCOC(C2=CC=C1)CO>N(C)(C)C=O.[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.CN(CCN(C)C)C>OCC1OCCC=2C(=CC=CC12)C#N | 3 |
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.S1C2=C(C=C1C=1C(=CC(=C(C1)/C=C/C(=O)C1=CC=C(C(=O)O)C=C1)OC)OC)C=CC=C2>C1CCCO1>CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.S1C2=C(C=C1C=1C(=CC(=C(C1)/C=C/C(=O)C1=CC=C(C(=O)O)C=C1)OC)OC)C=CC=C2 | 3 |
C(C)OC(\C=C(\C)/NC1=CC(=C(C=C1)Br)OC)=O>>BrC=1C=C2C(=CC(=NC2=CC1OC)C)O | 5 |
N1=C2C(=CC=C1)C(=O)OC2=O>C(C)(=O)O.NN>N1=CC=CC2=C1C(NNC2=O)=O | 3 |
C12CN(CC(N1)C2)C2=NC=C(C=N2)C=2C=1N(C=C(C2)OCCN2CCOCC2)N=CC1C#N.ClC=1C(=NC=C(C=O)C1)OC>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>ClC=1C=C(C=NC1OC)CN1C2CN(CC1C2)C2=NC=C(C=N2)C=2C=1N(C=C(C2)OCCN2CCOCC2)N=CC1C#N | 3 |
CN1CCC(CC1)=O>C1(=CC=CC=C1)C.COC(N(C)C)OC>CN(C)C=C1CN(CCC1=O)C | 3 |
CO[C@]1(C[C@H](NC1)C(=O)OC)C1=CC=C(C=C1)C1=C(C=CC=C1)C=C.C(CCCCC=C)OC(=O)N[C@H](C(=O)O)C(C)(C)C>>C(CCCCC=C)OC(=O)N[C@H](C(=O)N1[C@@H](C[C@](C1)(C1=CC=C(C=C1)C1=C(C=CC=C1)C=C)OC)C(=O)OC)C(C)(C)C | 5 |
Br[C:2]1[C:3]([N+:13]([O-:15])=[O:14])=[N:4][N:5]([CH:7]2[CH2:12][CH2:11][CH2:10][CH2:9][O:8]2)[CH:6]=1.C(=O)([O-])[O-].[K+].[K+].[OH:22][C:23]1[CH:28]=[CH:27][C:26]([C:29]([F:32])([F:31])[F:30])=[CH:25][C:24]=1B(O)O>COCCOC.C(OCC)(=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>[N+:13]([C:3]1[C:2]([C:24]2[CH:25]=[C:26]([C:29]([F:32])([F:31])[F:30])[CH:27]=[CH:28][C:23]=2[OH:22])=[CH:6][N:5]([CH:7]2[CH2:12][CH2:11][CH2:10][CH2:9][O:8]2)[N:4]=1)([O-:15])=[O:14] | 1 |
C(C)(C)(C)OC(N(C)C=1C(=NC=C(C1)C(F)(F)F)NC(=S)NC(C=1C=C2C(=CN1)N(C(C2)(C)C)C)=N)=O>CCO[H].II>CN(C(OC(C)(C)C)=O)C=1C(=NC=C(C1)C(F)(F)F)NC1=NC(=NS1)C=1C=C2C(=CN1)N(C(C2)(C)C)C | 3 |
[ClH:1].Cl.F[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[C@H:10]([CH2:14][CH2:15][N:16]1[CH2:19][CH:18]([N:20]2[CH2:25][CH2:24][O:23][CH2:22][CH2:21]2)[CH2:17]1)[CH2:11][NH:12][CH3:13].[Br:26][C:27]1[CH:28]=[C:29]([CH:33]=[C:34]([Br:36])[CH:35]=1)[C:30]([OH:32])=O.CCN(C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)[F:64]>CN(C=O)C>[ClH:1].[ClH:1].[Br:36][C:34]1[CH:33]=[C:29]([CH:28]=[C:27]([Br:26])[CH:35]=1)[C:30]([N:12]([CH2:11][C@H:10]([C:5]1[CH:6]=[CH:7][C:8]([F:64])=[CH:9][CH:4]=1)[CH2:14][CH2:15][N:16]1[CH2:19][CH:18]([N:20]2[CH2:25][CH2:24][O:23][CH2:22][CH2:21]2)[CH2:17]1)[CH3:13])=[O:32] | 1 |
[CH3:1][C:2]([CH3:44])([CH3:43])[C:3]#[C:4][C:5]1[S:9][C:8]([C:10]([OH:12])=[O:11])=[C:7]([N:13]([C:34]([CH:36]2[CH2:41][CH2:40][CH:39]([CH3:42])[CH2:38][CH2:37]2)=[O:35])[CH:14]2[CH2:19][CH2:18][CH:17]([O:20][C:21]3[N:26]=[C:25]([O:27]CC[Si](C)(C)C)[CH:24]=[CH:23][N:22]=3)[CH2:16][CH2:15]2)[CH:6]=1.[F-].C([N+](CCCC)(CCCC)CCCC)CCC>C1COCC1>[CH3:1][C:2]([CH3:43])([CH3:44])[C:3]#[C:4][C:5]1[S:9][C:8]([C:10]([OH:12])=[O:11])=[C:7]([N:13]([C:34]([CH:36]2[CH2:37][CH2:38][CH:39]([CH3:42])[CH2:40][CH2:41]2)=[O:35])[CH:14]2[CH2:15][CH2:16][CH:17]([O:20][C:21]3[NH:26][C:25](=[O:27])[CH:24]=[CH:23][N:22]=3)[CH2:18][CH2:19]2)[CH:6]=1 | 1 |
NC1=CC=C(C=C1)C=1C(=C(SC1)CCC(=O)OCC)C1=C(C=C(C=C1)C#N)C>>BrC1=CC=C(C=C1)C=1C(=C(SC1)CCC(=O)OCC)C1=C(C=C(C=C1)C#N)C | 5 |
[Cl:1][C:2]1[S:6][C:5]([S:7]([N:10](COCC[Si](C)(C)C)[C:11]2[C:19]3[C:14](=[CH:15][CH:16]=[CH:17][C:18]=3[O:20][CH3:21])[N:13]([CH2:22][C:23]3[CH:24]=[C:25]([CH:30]=[CH:31][CH:32]=3)[C:26]([O:28]C)=O)[N:12]=2)(=[O:9])=[O:8])=[CH:4][CH:3]=1.[NH:41]1CCCN2CCCN=[C:42]12.CN.CCCC[N+](CCCC)(CCCC)CCCC.[F-]>C1COCC1.C(Cl)Cl.O>[Cl:1][C:2]1[S:6][C:5]([S:7]([NH:10][C:11]2[C:19]3[C:14](=[CH:15][CH:16]=[CH:17][C:18]=3[O:20][CH3:21])[N:13]([CH2:22][C:23]3[CH:24]=[C:25]([CH:30]=[CH:31][CH:32]=3)[C:26]([NH:41][CH3:42])=[O:28])[N:12]=2)(=[O:8])=[O:9])=[CH:4][CH:3]=1 | 1 |
FC1=C(C=C(C(=C1)Cl)C(=O)Cl)N1C(C(=C(C1=O)C)C)=O>C1(=CC=CC=C1)C.CCN(CC)CC.C(C)(C)O>FC1=C(C=C(C(=C1)Cl)C(=O)OC(C)C)N1C(C(=C(C1=O)C)C)=O | 3 |
FC=1C=C(C(=C2CCCC12)N=C=O)C1=CC=NC=C1.C(C)(C)N1N=C(C=C1)S(=O)N>C1CCCO1.CC(C)(C)[O-].[Na+]>FC=1C=C(C(=C2CCCC12)NC(=O)NS(=O)C1=NN(C=C1)C(C)C)C1=CC=NC=C1 | 3 |
O=C1CC[C@H](O1)C(=O)O.ClC=1C=C(C=CC1F)NC1=NC=NC2=CC(=C(C=C12)OCC1CCCC1)OCCN1CCNCC1>>ClC=1C=C(C=CC1F)NC1=NC=NC2=CC(=C(C=C12)OCC1CCCC1)OCCN1CCN(CC1)C(=O)[C@@H]1CCC(O1)=O | 5 |
ClC1=C(C(=C(C(C1=O)=O)Cl)Cl)Cl.BrC=1N=C2N(N=C(C=C2)N2CCC(CC2)N2CCCC2)C1C1C=NN(C=C1)C(=O)OCC>C1(=CC=CC=C1)C.C(Cl)(Cl)(Cl)[H].ClCCl>BrC=1N=C2N(N=C(C=C2)N2CCC(CC2)N2CCCC2)C1C1=CN=NC=C1 | 3 |
Br.[CH:2]1([N:5]2[C:14]3[C:9](=[CH:10][CH:11]=[C:12]([C:16]4[CH:17]=[C:18]5[C:22](=[C:23]([F:25])[CH:24]=4)[CH2:21][NH:20][CH2:19]5)[C:13]=3[CH3:15])[C:8](=[O:26])[C:7]([C:27]([OH:29])=[O:28])=[CH:6]2)[CH2:4][CH2:3]1>C(O)C.[OH-].[Na+]>[CH:2]1([N:5]2[C:14]3[C:9](=[CH:10][CH:11]=[C:12]([C:16]4[CH:17]=[C:18]5[C:22](=[C:23]([F:25])[CH:24]=4)[CH2:21][NH:20][CH2:19]5)[C:13]=3[CH3:15])[C:8](=[O:26])[C:7]([C:27]([OH:29])=[O:28])=[CH:6]2)[CH2:3][CH2:4]1 | 1 |
C(C)N.ClC=1C=CC(=C(C=O)C1)CN1C(NC(C2=C1C=CN2)=O)=S>CO[H].[Na+].[BH4-]>ClC1=CC(=C(CN2C(NC(C3=C2C=CN3)=O)=S)C=C1)CNCC | 3 |
FC1=CC=C(C=C1)[Mg]Br.CC1(COC(OC1)CCC=O)C>>FC1=CC=C(C=C1)C(CCC1OCC(CO1)(C)C)O | 5 |
C(N1C=CN=C1)(N1C=CN=C1)=O.[NH2:13][C:14]1[C:22]([Cl:23])=[CH:21][C:17]([C:18]([OH:20])=O)=[C:16]([O:24][CH3:25])[CH:15]=1.[C:26]([O:30][C:31]([N:33]1[CH2:38][CH2:37][CH:36]([CH2:39][NH2:40])[CH2:35][CH2:34]1)=[O:32])([CH3:29])([CH3:28])[CH3:27]>CN(C)C=O>[C:26]([O:30][C:31]([N:33]1[CH2:38][CH2:37][CH:36]([CH2:39][NH:40][C:18]([C:17]2[CH:21]=[C:22]([Cl:23])[C:14]([NH2:13])=[CH:15][C:16]=2[O:24][CH3:25])=[O:20])[CH2:35][CH2:34]1)=[O:32])([CH3:29])([CH3:28])[CH3:27] | 1 |
[CH2:1]([C:3]1[CH:8]=[CH:7][CH:6]=[C:5]([CH2:9][CH3:10])[C:4]=1[C:11]1[CH:12]=[C:13]2[CH:19]=[CH:18][NH:17][C:14]2=[CH:15][N:16]=1)[CH3:2].[C:20]([O:24][C:25]([N:27]1[CH2:32][CH2:31][C:30](=O)[CH2:29][CH2:28]1)=[O:26])([CH3:23])([CH3:22])[CH3:21].C([O-])([O-])=O.[Cs+].[Cs+]>CO>[C:20]([O:24][C:25]([N:27]1[CH2:28][CH:29]=[C:30]([C:19]2[C:13]3[C:14](=[CH:15][N:16]=[C:11]([C:4]4[C:5]([CH2:9][CH3:10])=[CH:6][CH:7]=[CH:8][C:3]=4[CH2:1][CH3:2])[CH:12]=3)[NH:17][CH:18]=2)[CH2:31][CH2:32]1)=[O:26])([CH3:23])([CH3:21])[CH3:22] | 1 |
OC(CC(=O)OC)CNS(=O)(=O)C1=C(C=CC=C1)[N+](=O)[O-]>>BrCCN(CC(CC(=O)OC)O)S(=O)(=O)C1=C(C=CC=C1)[N+](=O)[O-] | 5 |
[CH3:1][O:2][CH2:3][CH2:4][CH2:5][N:6]1[C:10]2[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=2[N:8]=[C:7]1[C@@H:15]1[CH2:20][CH2:19][CH2:18][NH:17][CH2:16]1.[NH:21]1[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1.C1C2C(COC(N[C@H:45]([CH2:50][NH:51][C:52]([O:54][C:55]([CH3:58])([CH3:57])[CH3:56])=[O:53])[CH2:46][C:47](O)=[O:48])=O)C3C(=CC=CC=3)C=2C=CC=1.F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)C)[C:70]2[CH:71]=[CH:72][CH:73]=[CH:74][C:69]=2N=N1.CN(C(ON1N=N[C:96]2C=CC=N[C:95]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN1CCOCC1>[CH:24]1[C:25]2[CH:26]([NH:21][C@@H:45]([CH2:46][C:47]([N:17]3[CH2:18][CH2:19][CH2:20][C@@H:15]([C:7]4[N:6]([CH2:5][CH2:4][CH2:3][O:2][CH3:1])[C:10]5[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=5[N:8]=4)[CH2:16]3)=[O:48])[CH2:50][NH:51][C:52](=[O:53])[O:54][C:55]([CH3:57])([CH3:58])[CH3:56])[C:74]3[C:69](=[CH:70][CH:71]=[CH:72][CH:73]=3)[C:96]=2[CH:95]=[CH:22][CH:23]=1 | 1 |
C12(CC3CC(CC(C1)C3)C2)C(=O)Cl.C(C1=CC=CC=C1)N1CC=2N=CN=C(C2CC1)N>>C(C1=CC=CC=C1)N1CC=2N=CN=C(C2CC1)NC(=O)C12CC3CC(CC(C1)C3)C2 | 5 |
ClC1=C(C=C(C=C1)I)C(=O)C1=CC2=C(OCCO2)C=C1>CC#N.ClCCl.B(F)(F)F.CCOCC.C(C)[SiH](CC)CC>ClC1=C(CC2=CC3=C(OCCO3)C=C2)C=C(C=C1)I | 3 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)O[C@@H]1C[C@@H]([C@@](CC1)(C)[C@@H]1[C@H]([C@@H]2CC[C@@]([C@]2(CC1)C)(O)C=1OC=CC1)CO)CO>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>O1C(=CC=C1)[C@@]1(CC[C@H]2[C@@H]([C@H](CC[C@]12C)[C@@]1([C@H](C[C@H](CC1)O)CO)C)CO)O | 3 |
O1C(OCC1)C1=CC=C(C=C1)C1=NC2=CC=NC(=C2C=C1C1=CC=CC=C1)NN>C1(=CC=CC=C1)C.ClCCl.CCN(CC)CC.C(=O)(Cl)Cl>O1C(OCC1)C1=CC=C(C=C1)C1=NC=2C=CN3C(C2C=C1C1=CC=CC=C1)=NN=C3O | 3 |
[C:1]1([C:7]2[C:15]([CH2:16][C:17](=[N:21]O)C(O)=O)=[C:10]3[CH:11]=[CH:12][CH:13]=[CH:14][N:9]3[N:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.O>C(OC(=O)C)(=O)C>[C:1]1([C:7]2[C:15]([CH2:16][C:17]#[N:21])=[C:10]3[CH:11]=[CH:12][CH:13]=[CH:14][N:9]3[N:8]=2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1B(O)O.C(=O)([O-])[O-].[Na+].[Na+].Br[C:21]1[S:22][C:23]2[C:29]([N+:30]([O-:32])=[O:31])=[C:28]([O:33][CH3:34])[CH:27]=[CH:26][C:24]=2[N:25]=1>O.COCCOC>[CH3:34][O:33][C:28]1[CH:27]=[CH:26][C:24]2[N:25]=[C:21]([C:2]3[CH:3]=[CH:4][C:5]4[C:10](=[CH:9][CH:8]=[CH:7][CH:6]=4)[CH:1]=3)[S:22][C:23]=2[C:29]=1[N+:30]([O-:32])=[O:31] | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:9](=[CH:10][CH:11]=1)[NH:8][N:7]=[C:6]2[C:12]([OH:14])=[O:13].[H-].[Na+].[CH2:17](Cl)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.O>CN(C)C=O>[CH2:17]([N:8]1[C:9]2[C:5](=[CH:4][C:3]([O:2][CH3:1])=[CH:11][CH:10]=2)[C:6]([C:12]([O:14][CH2:6][C:5]2[CH:9]=[CH:10][CH:11]=[CH:3][CH:4]=2)=[O:13])=[N:7]1)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1 | 1 |
[C:1]1([C:7]2[CH:14]=[C:11]([CH:12]=O)[C:10]([OH:15])=[CH:9][CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Br[CH:17](C(OCC)=O)[C:18]([O:20][CH2:21][CH3:22])=[O:19].C(=O)([O-])[O-].[K+].[K+]>CC(=O)CC>[C:1]1([C:7]2[CH:8]=[CH:9][C:10]3[O:15][C:17]([C:18]([O:20][CH2:21][CH3:22])=[O:19])=[CH:12][C:11]=3[CH:14]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
[C:1]([C:5]1[CH:13]=[C:12]2[C:8]([C:9]([I:14])=[N:10][NH:11]2)=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[CH3:15]C([O-])(C)C.[K+].IC>C1COCC1>[C:1]([C:5]1[CH:13]=[C:12]2[C:8]([C:9]([I:14])=[N:10][N:11]2[CH3:15])=[CH:7][CH:6]=1)([CH3:4])([CH3:2])[CH3:3] | 1 |
CO\N=C(/COC1=CC=C(COC2=CC=C(C=C2)C2C(OC(O2)=O)C(=O)OC)C=C1)\C1=CC=CC=C1>>OC(C(C(=O)OCC)SC1=CC=CC=C1)C1=CC=C(C=C1)OCC1=CC=C(C=C1)OC\C(\C1=CC=CC=C1)=N/OC | 5 |
CC(C)([O-])C.[K+].[NH:7]1[CH:11]=[CH:10][CH:9]=[C:8]1[C:12]([O:14][CH2:15][CH3:16])=[O:13].[Cl:17][C:18]1[CH:25]=[CH:24][C:21]([CH2:22]Br)=[C:20]([N+:26]([O-:28])=[O:27])[CH:19]=1>CN(C)C=O>[Cl:17][C:18]1[CH:25]=[CH:24][C:21]([CH2:22][N:7]2[CH:11]=[CH:10][CH:9]=[C:8]2[C:12]([O:14][CH2:15][CH3:16])=[O:13])=[C:20]([N+:26]([O-:28])=[O:27])[CH:19]=1 | 1 |
C(CCCCCCCCCC)OC=1C=C(CCl)C=C(C1)OCCCCCCCCCCC>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+]>C(CCCCCCCCCC)OC=1C=C(CN=[N+]=[N-])C=C(C1)OCCCCCCCCCCC | 3 |
C1(=CC=CC2=CC=CC=C12)S(=O)(=O)Cl.NCC1=NC2=CC=CC=C2C(=N1)NC(C)C>C1CCCO1.c1ccncc1>C(C)(C)NC1=NC(=NC2=CC=CC=C12)CNS(=O)(=O)C1=CC=CC2=CC=CC=C12 | 3 |
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