smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
CS(=O)(=O)OCCC(C1=CNC2=C(C=CC=C12)CSC)C1=CC2=C(OC(O2)(F)F)C=C1>>FC1(OC2=C(O1)C=CC(=C2)C(CCC#N)C2=CNC1=C(C=CC=C21)CSC)F | 5 |
FC=1C=C(C=NC1CS(=O)(=O)C)NC=1N=CC2=C(N1)CN(CC2)C2=C(C1=C(OCCN1C(=O)OC(C)(C)C)N=C2)C>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>FC=1C=C(C=NC1CS(=O)(=O)C)NC=1N=CC2=C(N1)CN(CC2)C2=C(C1=C(OCCN1)N=C2)C | 3 |
[CH:1]([S:4]([N:7]1[CH2:10][C:9]2([CH2:14][CH2:13][N:12](C(OCC3C=CC=CC=3)=O)[CH2:11]2)[CH2:8]1)(=[O:6])=[O:5])([CH3:3])[CH3:2]>CC(O)=O.C(Cl)Cl.[Pd]>[CH:1]([S:4]([N:7]1[CH2:8][C:9]2([CH2:14][CH2:13][NH:12][CH2:11]2)[CH2:10]1)(=[O:5])=[O:6])([CH3:3])[CH3:2] | 1 |
[CH2:1]1[C:5]2([CH2:10][CH2:9][NH:8][CH2:7][CH2:6]2)[CH2:4][CH2:3][N:2]1[C:11]1[CH:18]=[CH:17][C:14]([C:15]#[N:16])=[CH:13][N:12]=1.CC1C=CC(S(O[CH2:30][CH:31]2[C:40]3[C:35](=[C:36]4[CH2:43][O:42][C:41](=[O:44])[C:37]4=[CH:38][CH:39]=3)[CH2:34][CH2:33][O:32]2)(=O)=O)=CC=1>C(#N)C>[O:44]=[C:41]1[C:37]2[C:36](=[C:35]3[C:40](=[CH:39][CH:38]=2)[CH:31]([CH2:30][N:8]2[CH2:7][CH2:6][C:5]4([CH2:1][N:2]([C:11]5[CH:18]=[CH:17][C:14]([C:15]#[N:16])=[CH:13][N:12]=5)[CH2:3][CH2:4]4)[CH2:10][CH2:9]2)[O:32][CH2:33][CH2:34]3)[CH2:43][O:42]1 | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]=[CH:9][C:10]2[CH:15]=[CH:14][C:13]([CH3:16])=[CH:12][CH:11]=2)=[CH:4][CH:3]=1.[Br:17]N1C(=O)CCC1=O>C(Cl)(Cl)(Cl)Cl>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]=[CH:9][C:10]2[CH:11]=[CH:12][C:13]([CH2:16][Br:17])=[CH:14][CH:15]=2)=[CH:6][CH:7]=1 | 1 |
[F:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:9][CH2:10][C:11]1[N:16]([CH2:17][C:18](O)=[O:19])[C:15]2N=CC=C[C:14]=2[C:13](=[O:25])[N:12]=1.[CH3:26][C:27]([N:34]1[CH2:39][CH2:38][CH:37]([NH:40][CH2:41][C:42]2[CH:47]=[CH:46][C:45]([C:48]3[CH:53]=[CH:52][C:51]([O:54][C:55]([F:58])([F:57])[F:56])=[CH:50][CH:49]=3)=[CH:44][CH:43]=2)[CH2:36][CH2:35]1)([CH3:33])[C:28]([O:30][CH2:31][CH3:32])=[O:29].CCN(C(C)C)C(C)C.CN(C(ON1N=N[C:78]2[CH:79]=[CH:80]C=N[C:77]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C>[F:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:9][CH2:10][C:11]1[N:16]([CH2:17][C:18]([N:40]([CH2:41][C:42]2[CH:47]=[CH:46][C:45]([C:48]3[CH:49]=[CH:50][C:51]([O:54][C:55]([F:57])([F:56])[F:58])=[CH:52][CH:53]=3)=[CH:44][CH:43]=2)[CH:37]2[CH2:36][CH2:35][N:34]([C:27]([CH3:26])([CH3:33])[C:28]([O:30][CH2:31][CH3:32])=[O:29])[CH2:39][CH2:38]2)=[O:19])[C:15]2[C:14]([C:13](=[O:25])[N:12]=1)=[CH:80][CH:79]=[CH:78][CH:77]=2 | 2 |
C1C(CC2=CC=CC=C12)N1C=NC=C1CO>>C1C(CC2=CC=CC=C12)N1C=NC=C1C#N | 5 |
NC=1C=C(C(=C(C1)C#CC(C)(O)C)Cl)OC>C1(=CC=CC=C1)C.N(C)(C)C=O.[OH-].[Na+]>ClC1=C(C=C(C=C1OC)N)C#C | 3 |
C(C)OC(\C=C(\C1=CC=CC=C1)/C1=CC=C(C=C1)C#CCN(C)C)=O>>CN(CC#CC1=CC=C(C=C1)\C(=C/CO)\C1=CC=CC=C1)C | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=O)/[CH:9]=[CH:10]/[N:11]([CH3:13])C)=[CH:4][CH:3]=1.[N:15]1[CH:20]=[CH:19][C:18]([C:21]2[CH:25]=C(N)[NH:23][N:22]=2)=[CH:17][CH:16]=1>>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[N:23]3[N:22]=[C:21]([C:18]4[CH:19]=[CH:20][N:15]=[CH:16][CH:17]=4)[CH:25]=[C:13]3[N:11]=[CH:10][CH:9]=2)=[CH:6][CH:7]=1 | 2 |
C(C1=CC=CC=C1)O[C@H]1C(=O)O[C@@H]([C@H]([C@@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1.C(C1=CC=CC=C1)OC1=CC(=C(C=C1Br)C1OCCO1)C>C1CCCO1.C(CCC)[Li].CCCCCC>C(C1=CC=CC=C1)O[C@H]1C(O)(O[C@@H]([C@H]([C@@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1)C1=C(C=C(C(=C1)C1OCCO1)C)OCC1=CC=CC=C1 | 3 |
C[C@@]12C(OC[C@H]1[C@@H]1CCC3=CC(CC[C@]3(C)[C@H]1CC2)=O)=O>CC(C)(C)O.C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl>C[C@@]12C(OC[C@H]1[C@@H]1C=CC3=CC(CC[C@]3(C)[C@H]1CC2)=O)=O | 3 |
C(CCCCCCCCCCCCCCCC)#N>CCO[H].[OH-].[Na+].Cl.NO>ON=C(CCCCCCCCCCCCCCCC)N | 3 |
C(OC([NH:8][C@@H:9]([C:14]([OH:16])=[O:15])[CH2:10][CH:11]([CH3:13])[CH3:12])=O)(C)(C)C.[C:17]([O:21][C:22]([NH:24][C@@H:25]([C:27]([OH:29])=O)[CH3:26])=[O:23])([CH3:20])([CH3:19])[CH3:18].C1(N=C=NC2CCCCC2)CCCCC1>C(Cl)(Cl)Cl>[C:17]([O:21][C:22]([NH:24][C@@H:25]([C:27]([NH:8][C@@H:9]([C:14]([OH:16])=[O:15])[CH2:10][CH:11]([CH3:13])[CH3:12])=[O:29])[CH3:26])=[O:23])([CH3:18])([CH3:19])[CH3:20] | 1 |
C(=O)([O-])O.[K+].Br[CH2:7][C:8]1[O:9][C:10](=[O:14])[O:11][C:12]=1[CH3:13].[C:15]1([S:21]([NH:24][C:25]2[CH:26]=[C:27]([C@@H:31]([OH:51])[CH2:32][NH:33][C:34]([CH3:50])([CH3:49])[CH2:35][CH2:36][N:37]3[C:45]4[C:40](=[CH:41][C:42]([C:46]([OH:48])=[O:47])=[CH:43][CH:44]=4)[CH:39]=[CH:38]3)[CH:28]=[CH:29][CH:30]=2)(=[O:23])=[O:22])[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>CN(C=O)C>[C:15]1([S:21]([NH:24][C:25]2[CH:26]=[C:27]([C@@H:31]([OH:51])[CH2:32][NH:33][C:34]([CH3:49])([CH3:50])[CH2:35][CH2:36][N:37]3[C:45]4[C:40](=[CH:41][C:42]([C:46]([O:48][CH2:7][C:8]5[O:9][C:10](=[O:14])[O:11][C:12]=5[CH3:13])=[O:47])=[CH:43][CH:44]=4)[CH:39]=[CH:38]3)[CH:28]=[CH:29][CH:30]=2)(=[O:23])=[O:22])[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1 | 1 |
NS(N)(=O)=O.Cl[CH2:7][CH2:8][CH2:9][S:10]([N:13]1[CH2:18][CH2:17][CH:16]([C:19]2[C:27]3[C:22](=[C:23]([C:34]([NH2:36])=[O:35])[CH:24]=[C:25]([C:28]4[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=4)[CH:26]=3)[NH:21][CH:20]=2)[CH2:15][CH2:14]1)(=[O:12])=[O:11].[NH2:37][CH:38]1[CH2:43][CH2:42][N:41]([C:44]([O:46][C:47]([CH3:50])([CH3:49])[CH3:48])=[O:45])[CH2:40][CH2:39]1.C([O-])([O-])=O.[K+].[K+].[I-].[Na+]>>[NH2:36][C:34]([C:23]1[CH:24]=[C:25]([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)[CH:26]=[C:27]2[C:22]=1[NH:21][CH:20]=[C:19]2[CH:16]1[CH2:17][CH2:18][N:13]([S:10]([CH2:9][CH2:8][CH2:7][NH:37][CH:38]2[CH2:39][CH2:40][N:41]([C:44]([O:46][C:47]([CH3:50])([CH3:49])[CH3:48])=[O:45])[CH2:42][CH2:43]2)(=[O:12])=[O:11])[CH2:14][CH2:15]1)=[O:35] | 1 |
[CH3:1][N:2]([CH3:15])[C:3]1([C:13]#[N:14])[CH2:12][CH2:11][C:6]2([O:10]CCO2)[CH2:5][CH2:4]1.[C:16]1(C)[CH:21]=CC=[CH:18][CH:17]=1.C#C.Cl>O.C1(C2CCC=CCCC=2)C=CC=C1.[Co]>[CH3:15][N:2]([CH3:1])[C:3]1([C:13]2[CH:18]=[CH:17][CH:16]=[CH:21][N:14]=2)[CH2:4][CH2:5][C:6](=[O:10])[CH2:11][CH2:12]1 | 1 |
C(C)(C)(C)OC(=O)N[C@@H](C(=O)N1[C@H](C(=O)NCC2=C(C=CC(=C2)Cl)C2=NSN=C2Cl)CCC1)C1CCCCC1>>Cl.N[C@@H](C(=O)N1[C@H](C(=O)NCC2=C(C=CC(=C2)Cl)C2=NSN=C2)CCC1)C1CCCCC1 | 5 |
F[C:2]1[N:7]=[C:6]([N:8]2[C:16]3[CH:15]=[C:14]([C:17]4[S:21][CH:20]=[N:19][CH:18]=4)[N:13]=[CH:12][C:11]=3[CH:10]=[N:9]2)[CH:5]=[CH:4][CH:3]=1.[C:22]([N:29]1[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]1)([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23]>CS(C)=O>[S:21]1[C:17]([C:14]2[N:13]=[CH:12][C:11]3[CH:10]=[N:9][N:8]([C:6]4[N:7]=[C:2]([N:32]5[CH2:31][CH2:30][N:29]([C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])[CH2:34][CH2:33]5)[CH:3]=[CH:4][CH:5]=4)[C:16]=3[CH:15]=2)=[CH:18][N:19]=[CH:20]1 | 1 |
BrC=1C=C(C(N(C1)C)=O)NC1=NC=C(C=C1)C(=O)N1[C@H](COCC1)C.C(C)(=O)OCC=1C(=NC=CC1B1OC(C(O1)(C)C)(C)C)N1C(C2=CC=3CC(CC3N2CC1)(C)C)=O>>C(C)(=O)OCC=1C(=NC=CC1C1=CN(C(C(=C1)NC1=NC=C(C=C1)C(=O)N1[C@H](COCC1)C)=O)C)N1C(C2=CC=3CC(CC3N2CC1)(C)C)=O | 5 |
C[O-].[Na+].N#N.[C:6]([O:9][CH3:10])(=[O:8])[CH3:7].[CH:11]([C:13]1[CH:21]=[CH:20][CH:19]=[C:18]2[C:14]=1[CH:15]=[CH:16][NH:17]2)=O>O1CCCC1>[NH:17]1[C:18]2[C:14](=[C:13]([CH:11]=[CH:7][C:6]([O:9][CH3:10])=[O:8])[CH:21]=[CH:20][CH:19]=2)[CH:15]=[CH:16]1 | 1 |
N1CCC(CC1)C1=CC=C(C(=O)NC2=C(C=CC=C2)NC(OC(C)(C)C)=O)C=C1.CN1N=C(C(=C1C)C=O)C>>NC1=C(C=CC=C1)NC(C1=CC=C(C=C1)C1CCN(CC1)CC=1C(=NN(C1C)C)C)=O | 3 |
CC1=C(C=CC(=C1)C)C(C=1C=C(C=CC1)NS(=O)(=O)C)O>>N(=[N+]=[N-])C(C=1C=C(C=CC1)NS(=O)(=O)C)C1=C(C=C(C=C1)C)C | 5 |
C([O:4][C:5]1[CH:18]=[C:17]2[C:8]([NH:9][C:10]3[C:15]([S:16]2(=[O:20])=[O:19])=[CH:14][CH:13]=[CH:12][CH:11]=3)=[C:7]2[CH:21]=[CH:22][CH:23]=[CH:24][C:6]=12)(=O)C.[OH-].[Na+].C(O)(=O)C>CO>[OH:4][C:5]1[CH:18]=[C:17]2[C:8]([NH:9][C:10]3[C:15]([S:16]2(=[O:20])=[O:19])=[CH:14][CH:13]=[CH:12][CH:11]=3)=[C:7]2[CH:21]=[CH:22][CH:23]=[CH:24][C:6]=12 | 1 |
NC1=C(C#N)C(=CC(=C1)Br)F>>BrC=1C=C(C(=C(C1)N=CN(C)C)C#N)F | 5 |
[N:1]1([C:7]([C:9]2[CH:14]=[CH:13][C:12]([NH:15][C:16]3[N:17]=[C:18]([NH:25][C@@H:26]4[CH2:30][CH2:29][NH:28][CH2:27]4)[N:19]=[N:20][C:21]=3[C:22]([NH2:24])=[O:23])=[CH:11][CH:10]=2)=[O:8])[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.[C:31](O)(=[O:35])[C:32]#[C:33][CH3:34].CCN(C(C)C)C(C)C.C1CN([P+](ON2N=NC3C=CC=CC2=3)(N2CCCC2)N2CCCC2)CC1.F[P-](F)(F)(F)(F)F>CN1C(=O)CCC1>[C:31]([N:28]1[CH2:29][CH2:30][C@@H:26]([NH:25][C:18]2[N:19]=[N:20][C:21]([C:22]([NH2:24])=[O:23])=[C:16]([NH:15][C:12]3[CH:13]=[CH:14][C:9]([C:7]([N:1]4[CH2:2][CH2:3][O:4][CH2:5][CH2:6]4)=[O:8])=[CH:10][CH:11]=3)[N:17]=2)[CH2:27]1)(=[O:35])[C:32]#[C:33][CH3:34] | 1 |
CI.C(C)(C)(C)C=1C(=C(C(=O)O)C(=CC1)O)O>>COC(C1=C(C(=CC=C1O)C(C)(C)C)O)=O | 5 |
Cl[C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[O:10][C:11]([F:14])([F:13])[F:12])[CH:5]=[O:6].[N:15]1[CH:20]=[CH:19][CH:18]=[C:17](B(O)O)[CH:16]=1>O1CCOCC1.C([O-])([O-])=O.[K+].[K+].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>[F:12][C:11]([F:14])([F:13])[O:10][C:9]1[CH:8]=[CH:7][C:4]([CH:5]=[O:6])=[CH:3][C:2]=1[C:17]1[CH:16]=[N:15][CH:20]=[CH:19][CH:18]=1 | 2 |
CN1C(=NC2=C(C1=O)C(=C(O2)C2=CC=C(C=C2)C2(CCC2)NC(OC(C)(C)C)=O)C2=CC=CC=C2)S(=O)(=O)C>>CN1C(NC2=C(C1=O)C(=C(O2)C2=CC=C(C=C2)C2(CCC2)NC(OC(C)(C)C)=O)C2=CC=CC=C2)=O | 5 |
CNC1=CC(=CC=C1)OC.CC=1C=C(C=CC1)C1=CN=C(S1)C(=O)[O-].[Li+]>N(C)(C)C=O.ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl>COC=1C=C(C=CC1)N(C(=O)C=1SC(=CN1)C1=CC(=CC=C1)C)C | 3 |
ClC=1C=C(C=CC1)C(C(C(=O)OCC)CC=1C=CC2=C(C(CO2)(C)C)C1)=O>C(C)OCC.[Na+].[BH4-].[Cl-].[Zn+2].[Cl-]>ClC=1C=C(C=CC1)C(C(C(=O)OCC)CC=1C=CC2=C(C(CO2)(C)C)C1)O | 3 |
C[O:2][C:3](=[O:21])[CH:4]([C:11]1[CH:16]=[CH:15][C:14]([C:17]#[C:18][CH2:19][OH:20])=[CH:13][CH:12]=1)[CH2:5][CH:6]1[CH2:10][CH2:9][CH2:8][CH2:7]1.[OH-].[Li+]>CO.O>[CH:6]1([CH2:5][CH:4]([C:11]2[CH:16]=[CH:15][C:14]([C:17]#[C:18][CH2:19][OH:20])=[CH:13][CH:12]=2)[C:3]([OH:21])=[O:2])[CH2:10][CH2:9][CH2:8][CH2:7]1 | 1 |
[N:1]1([C:11]([C:13]2[CH:21]=[CH:20][C:16]([C:17](O)=[O:18])=[C:15]([N+:22]([O-:24])=[O:23])[CH:14]=2)=[O:12])[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH2:4][CH2:3][CH2:2]1.C(N(CC)CC)C.C(Cl)(=O)OCC.[BH4-].[Na+]>C1COCC1.O.CO>[N:1]1([C:11]([C:13]2[CH:21]=[CH:20][C:16]([CH2:17][OH:18])=[C:15]([N+:22]([O-:24])=[O:23])[CH:14]=2)=[O:12])[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH2:4][CH2:3][CH2:2]1 | 2 |
CC1=CC=C(C=N1)OCC#C>O.CO[H].[OH-].[Na+].II>IC#CCOC=1C=NC(=CC1)C | 3 |
Cl.S1C=NC=C1N.BrC1=C(C=CC(=C1)C(F)(F)F)N1C2=C(OCC1)C=C(C=C2)S(=O)(=O)Cl>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>BrC1=C(C=CC(=C1)C(F)(F)F)N1C2=C(OCC1)C=C(C=C2)S(=O)(=O)NC2=CN=CS2 | 3 |
C(C)I.SC1=CC=C(C=C1)O>>C(C)SC1=CC=C(C=C1)O | 5 |
C[O:2][C:3](=[O:34])[CH2:4][CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[O:12][C:13]1[CH:18]=[CH:17][C:16]([CH2:19][CH:20]([NH:26][C:27]([O:29][C:30]([CH3:33])([CH3:32])[CH3:31])=[O:28])[C:21](=[O:25])[N:22]([CH3:24])[CH3:23])=[CH:15][CH:14]=1.[OH-].[Li+]>C1COCC1.O>[C:30]([O:29][C:27]([NH:26][CH:20]([C:21](=[O:25])[N:22]([CH3:24])[CH3:23])[CH2:19][C:16]1[CH:17]=[CH:18][C:13]([O:12][C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=2[CH2:5][CH2:4][C:3]([OH:34])=[O:2])=[CH:14][CH:15]=1)=[O:28])([CH3:32])([CH3:31])[CH3:33] | 1 |
[NH2:1][C:2]1[CH:15]=[CH:14][CH:13]=[CH:12][C:3]=1[C:4]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)=O.[CH3:16][C:17]1[CH:24]=[CH:23][C:20]([C:21]#[N:22])=[CH:19][CH:18]=1.[H-].[Na+]>C1COCC1>[CH3:16][C:17]1[CH:24]=[CH:23][C:20]([C:21]2[N:22]=[C:4]([C:6]3[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=3)[C:3]3[C:2](=[CH:15][CH:14]=[CH:13][CH:12]=3)[N:1]=2)=[CH:19][CH:18]=1 | 1 |
COC1=NC=C(C=C1)B1OC(C(O1)(C)C)(C)C.BrC1=C(C=2N(C=C1)C(N(N2)CC(C)C)=O)C2=CC=C(C=C2)C>>C(C(C)C)N1N=C2N(C=CC(=C2C2=CC=C(C=C2)C)C=2C=NC(=CC2)OC)C1=O | 5 |
NC1=CC=CC=C1.CC(C=O)(C)C>O.[Pd].C(C)(C)O.C(=O)[O-].[NH4+]>CC(CNC1=CC=CC=C1)(C)C | 3 |
[CH3:1][C:2]([CH3:5])([O-])[CH3:3].[Na+].I[CH2:8][CH2:9][CH3:10].Cl.[CH3:12][C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([NH:19][C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[CH:14]=1.Br[C:27]1[CH:32]=[CH:31][C:30]([C:33]2[CH:38]=[CH:37][C:36](Br)=[CH:35][CH:34]=2)=[CH:29][CH:28]=1>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C(Cl)Cl.C1(C)C=CC=CC=1>[C:9]1([N:19]([C:15]2[CH:1]=[C:2]([CH3:5])[CH:3]=[CH:13][CH:14]=2)[C:27]2[CH:32]=[CH:31][C:30]([C:33]3[CH:38]=[CH:37][C:36]([N:19]([C:20]4[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=4)[C:15]4[CH:14]=[C:13]([CH3:12])[CH:18]=[CH:17][CH:16]=4)=[CH:35][CH:34]=3)=[CH:29][CH:28]=2)[CH:10]=[CH:18][CH:17]=[CH:16][CH:8]=1 | 2 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]2[CH:20]=[CH:19][C:18]([O:21][CH2:22][CH2:23][CH2:24][CH3:25])=[CH:17][CH:16]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].Cl[CH2:27][C:28]1[CH:33]=[CH:32][N:31]=[C:30]([C:34]2[CH:39]=[C:38]([O:40][CH3:41])[C:37]([O:42][CH3:43])=[C:36]([O:44][CH3:45])[CH:35]=2)[CH:29]=1>>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([N:14]([C:15]2[CH:20]=[CH:19][C:18]([O:21][CH2:22][CH2:23][CH2:24][CH3:25])=[CH:17][CH:16]=2)[CH2:27][C:28]2[CH:33]=[CH:32][N:31]=[C:30]([C:34]3[CH:39]=[C:38]([O:40][CH3:41])[C:37]([O:42][CH3:43])=[C:36]([O:44][CH3:45])[CH:35]=3)[CH:29]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
CI.OC1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C>N(C)(C)C=O.N.[H-].[Na+]>C(OC1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C)([2H])([2H])[2H] | 3 |
ClC=1C=CC2=C([C@H](O[C@@H](C(N2CC(CO)(C)C)=O)CC(=O)NCC2=CC=C(C(=O)OC)C=C2)C2=C(C(=CC=C2)OC)OC)C1>CCO[H].[OH-].[Na+]>ClC=1C=CC2=C([C@H](O[C@@H](C(N2CC(CO)(C)C)=O)CC(=O)NCC2=CC=C(C(=O)O)C=C2)C2=C(C(=CC=C2)OC)OC)C1 | 3 |
CN1CCC(=CC1)C1=C(C=NC=C1)[N+](=O)[O-]>CO[H].[HH].[Pd]>CN1CCC(CC1)C1=C(C=NC=C1)N | 3 |
[F:1][C:2]([F:38])([F:37])[C:3]1[CH:32]=[C:31]([C:33]([F:36])([F:35])[F:34])[CH:30]=[CH:29][C:4]=1[CH2:5][N:6]1[CH2:11][CH2:10][CH:9](/[CH:12]=[C:13]2/[C:14]([NH:19][CH2:20]/[CH:21]=[CH:22]\[CH2:23][N:24]([CH2:27][CH3:28])[CH2:25][CH3:26])=[N:15][C:16](=[O:18])[S:17]/2)[CH2:8][CH2:7]1.O.[S:40]([C:44]1[CH:50]=[CH:49][C:47]([CH3:48])=[CH:46][CH:45]=1)([OH:43])(=[O:42])=[O:41]>C(OCC)(=O)C>[S:40]([C:44]1[CH:50]=[CH:49][C:47]([CH3:48])=[CH:46][CH:45]=1)([OH:43])(=[O:42])=[O:41].[F:38][C:2]([F:1])([F:37])[C:3]1[CH:32]=[C:31]([C:33]([F:35])([F:36])[F:34])[CH:30]=[CH:29][C:4]=1[CH2:5][N:6]1[CH2:11][CH2:10][CH:9](/[CH:12]=[C:13]2/[C:14]([NH:19][CH2:20]/[CH:21]=[CH:22]\[CH2:23][N:24]([CH2:27][CH3:28])[CH2:25][CH3:26])=[N:15][C:16](=[O:18])[S:17]/2)[CH2:8][CH2:7]1 | 1 |
COCC(CN1N=C(C=C1)[N+](=O)[O-])O>>NC1=NN(C=C1)CC(COC)O | 5 |
C(OCC)(OCC)(OCC)C.N(N)C([C@H](CC1=CC=CC=C1)NC(OC(C)(C)C)=O)=O>C1(=CC=CC=C1)C.C(C)(=O)O>CC1=NN=C(O1)[C@H](CC1=CC=CC=C1)NC(OC(C)(C)C)=O | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([O:9][CH3:10])[C:6]([CH:11]([CH3:13])[CH3:12])=[CH:5][C:4]=1[C:14]1[N:15]([C:20]2[CH:21]=[C:22]3[C:26](=[CH:27][CH:28]=2)[N:25]([CH3:29])[CH:24]=[CH:23]3)[C:16]([NH2:19])=[N:17][N:18]=1.Br[C:31]1[CH:32]=[C:33]2[C:38](=[CH:39][CH:40]=1)[N:37]=[CH:36][CH:35]=[CH:34]2.C(=O)([O-])[O-].[Cs+].[Cs+].CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC1=2>[Pd].[Pd].C(=CC(C=CC1C=CC=CC=1)=O)C1C=CC=CC=1.C(=CC(C=CC1C=CC=CC=1)=O)C1C=CC=CC=1.C(=CC(C=CC1C=CC=CC=1)=O)C1C=CC=CC=1.O1CCOCC1>[CH:11]([C:6]1[C:7]([O:9][CH3:10])=[CH:8][C:3]([O:2][CH3:1])=[C:4]([C:14]2[N:15]([C:20]3[CH:21]=[C:22]4[C:26](=[CH:27][CH:28]=3)[N:25]([CH3:29])[CH:24]=[CH:23]4)[C:16]([NH:19][C:31]3[CH:32]=[C:33]4[C:38](=[CH:39][CH:40]=3)[N:37]=[CH:36][CH:35]=[CH:34]4)=[N:17][N:18]=2)[CH:5]=1)([CH3:13])[CH3:12] | 1 |
Cl[C:2]1[C:15]2[C:14](=O)[C:13]3[C:8](=[C:9]([Cl:17])[CH:10]=[CH:11][CH:12]=3)[C:7](=O)[C:6]=2[CH:5]=[CH:4][CH:3]=1.CC[N:21]([CH:25](C)C)C(C)C.[OH2:28].[NH2:29]N>C1COCC1>[Cl:17][C:9]1[CH2:10][C:11](=[O:28])[CH2:12][C:13]2[C:8]=1[CH:7]=[C:6]1[C:15](=[C:2]3[CH:25]=[N:21][N:29]=[C:3]3[CH:4]=[CH:5]1)[CH:14]=2 | 1 |
Br[CH2:2][CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[N+:10]([O-:12])=[O:11].[NH2:13][CH:14]1[CH2:19][CH2:18][N:17]([CH2:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[CH2:16][CH2:15]1>>[N+:10]([C:5]1[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=1[CH2:3][CH2:2][NH:13][CH:14]1[CH2:19][CH2:18][N:17]([CH2:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[CH2:16][CH2:15]1)([O-:12])=[O:11] | 1 |
FNS(=O)(=O)C1=CC=CC=C1.ClC1=C2C=3CCCC(C3N(C2=CC=C1Cl)S(=O)(=O)C1=CC=C(C)C=C1)=O>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>ClC1=C2C=3CCC(C(C3N(C2=CC=C1Cl)S(=O)(=O)C1=CC=C(C)C=C1)=O)F | 3 |
Cl.ClC=1C=C(C=CC1Cl)NN.COC1=CC=C2CCC(C(C2=C1)(C)C)=O>O.C(C)OCC.C(C)(=O)O>ClC=1C=C2C=3CC4=C(C(C3NC2=CC1Cl)(C)C)C=C(C=C4)OC | 3 |
[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]1[CH2:11][CH2:10][CH:9]([C:12]2[C:16]3[CH:17]=[CH:18][C:19]([F:21])=[CH:20][C:15]=3[O:14][N:13]=2)[CH2:8][CH2:7]1.[C@@H:22]12[C:31](=O)[O:30][C:28](=[O:29])[C@@H:23]1[CH2:24][CH2:25][CH2:26][CH2:27]2.[ClH:33]>N1C=CC=CC=1.C(O)C>[ClH:33].[F:21][C:19]1[CH:18]=[CH:17][C:16]2[C:12]([CH:9]3[CH2:10][CH2:11][N:6]([CH2:5][CH2:4][CH2:3][CH2:2][N:1]4[C:28](=[O:29])[CH:23]5[CH:22]([CH2:27][CH2:26][CH2:25][CH2:24]5)[C:31]4=[O:30])[CH2:7][CH2:8]3)=[N:13][O:14][C:15]=2[CH:20]=1 | 1 |
C(=O)(OC(C)(C)C)NCCN.BrC1=C2CCCN3C2=C(C(=C1Br)I)N=C3Cl>CCO[H]>BrC1=C2CCCN3C2=C(C(=C1Br)I)N=C3NCCNC(OC(C)(C)C)=O | 3 |
[C:1]([NH:4][C:5]1[CH:13]=[CH:12][C:8]([C:9]([OH:11])=O)=[CH:7][CH:6]=1)(=[O:3])[CH3:2].C(N(CC)CC)C.ClC(OCC(C)C)=O.[SH:29][CH2:30][C@@H:31]([CH3:42])[C:32]([N:34]1[C@H:38]([C:39]([OH:41])=[O:40])[CH2:37][S:36][CH2:35]1)=[O:33]>O1CCCC1.O>[C:1]([NH:4][C:5]1[CH:6]=[CH:7][C:8]([C:9]([S:29][CH2:30][C@@H:31]([CH3:42])[C:32]([N:34]2[C@H:38]([C:39]([OH:41])=[O:40])[CH2:37][S:36][CH2:35]2)=[O:33])=[O:11])=[CH:12][CH:13]=1)(=[O:3])[CH3:2] | 1 |
N[C:2]1[CH:3]=[C:4]([C:8]([F:11])([F:10])[F:9])[CH:5]=[CH:6][CH:7]=1.Cl.N([O-])=O.[Na+].[CH3:17][C:18]([C:20]1[O:21][CH:22]=[CH:23][CH:24]=1)=[O:19]>O.C(#N)C>[CH3:17][C:18]([C:20]1[O:21][C:22]([C:2]2[CH:7]=[CH:6][CH:5]=[C:4]([C:8]([F:11])([F:10])[F:9])[CH:3]=2)=[CH:23][CH:24]=1)=[O:19] | 1 |
[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[C@H:8]([CH:12]([CH3:14])[CH3:13])[C@:7]([CH2:16][CH2:17][NH:18][CH3:19])([OH:15])[CH2:6][CH2:5]2.[CH3:20][O:21][CH2:22][C:23]([CH2:32][O:33][CH3:34])([CH3:31])[C:24]([NH:26][CH2:27][CH2:28][CH:29]=O)=[O:25].C([BH3-])#N.[Na+]>C(Cl)Cl.CC(O)=O>[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[C@H:8]([CH:12]([CH3:13])[CH3:14])[C@:7]([CH2:16][CH2:17][N:18]([CH3:19])[CH2:29][CH2:28][CH2:27][NH:26][C:24](=[O:25])[C:23]([CH2:32][O:33][CH3:34])([CH3:31])[CH2:22][O:21][CH3:20])([OH:15])[CH2:6][CH2:5]2 | 1 |
C(C)(C)(C)OC(NCC1=C(C(=CC(=C1)C#N)Cl)F)=O>ClCCl.C(=O)(C(F)(F)F)O>NCC=1C=C(C#N)C=C(C1F)Cl | 3 |
[CH3:1][N:2]([CH3:7])[S:3]([CH3:6])(=[O:5])=[O:4].C([Li])CCC.[F:13][C:14]1[CH:23]=[CH:22][C:17]([C:18](OC)=[O:19])=[C:16]([NH:24][CH3:25])[CH:15]=1>>[F:13][C:14]1[CH:23]=[CH:22][C:17]([C:18](=[O:19])[CH2:6][S:3](=[O:5])(=[O:4])[N:2]([CH3:7])[CH3:1])=[C:16]([NH:24][CH3:25])[CH:15]=1 | 1 |
[CH3:1][S:2]([C:5]1[CH:6]=[C:7]([C:11]2[S:15][C:14]([CH2:16][NH:17][S:18]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=3[C:27]([F:30])([F:29])[F:28])(=[O:20])=[O:19])=[CH:13][CH:12]=2)[CH:8]=[CH:9][CH:10]=1)(=[O:4])=[O:3].I[CH2:32][CH2:33][CH3:34].C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C)C(=O)C>[CH3:1][S:2]([C:5]1[CH:6]=[C:7]([C:11]2[S:15][C:14]([CH2:16][N:17]([CH2:32][CH2:33][CH3:34])[S:18]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=3[C:27]([F:30])([F:28])[F:29])(=[O:20])=[O:19])=[CH:13][CH:12]=2)[CH:8]=[CH:9][CH:10]=1)(=[O:3])=[O:4] | 1 |
[CH2:1]([C@H:8]1[CH2:13][N:12]2[CH2:14][CH2:15][N:9]1[CH2:10][CH2:11]2)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:16]([Cl:18])[Cl:17]>>[Cl-:17].[CH2:1]([C@@H:8]1[N:9]2[CH2:10][CH2:11][N+:12]([CH2:16][Cl:18])([CH2:14][CH2:15]2)[CH2:13]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([S:12](=[O:25])(=[O:24])[NH:13][C:14]2[CH:15]=[CH:16][C:17]3[CH2:21][O:20][B:19]([OH:22])[C:18]=3[CH:23]=2)=[C:6]([CH2:8][C:9](O)=[O:10])[CH:7]=1.Cl.CN.C1C[N:32]([P+](ON2N=NC3C=CC=CC2=3)(N2CCCC2)N2CCCC2)[CH2:31]C1.F[P-](F)(F)(F)(F)F.O>CN(C=O)C>[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([S:12](=[O:24])(=[O:25])[NH:13][C:14]2[CH:15]=[CH:16][C:17]3[CH2:21][O:20][B:19]([OH:22])[C:18]=3[CH:23]=2)=[C:6]([CH2:8][C:9]([NH:32][CH3:31])=[O:10])[CH:7]=1 | 1 |
[CH:1]([N:4]1[C:13]2[C:8](=[CH:9][C:10]3[CH2:16][CH2:15][O:14][C:11]=3[CH:12]=2)[CH:7]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[NH:6][C:5]1=[O:23])([CH3:3])[CH3:2].O1CCOCC1.[Mn]([O-])(=O)(=O)=O.[K+].C=O>O>[CH:1]([N:4]1[C:13]2[C:8](=[CH:9][C:10]3[CH2:16][CH2:15][O:14][C:11]=3[CH:12]=2)[C:7]([C:17]2[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=2)=[N:6][C:5]1=[O:23])([CH3:3])[CH3:2] | 1 |
FC1=C(N)C=CC(=C1)S>N(C)(C)C=O.O.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.C[Si](C(F)(F)F)(C)C.[H-].[Li+].F[B-](F)(F)F.[Li+]>FC(SC1=CC(=C(N)C=C1)F)F | 3 |
BrC1=CC(=C(C=C1C(F)(F)F)NC(C)=O)F>>C(#N)C1=CC(=C(C=C1C(F)(F)F)NC(C)=O)F | 5 |
CN(C)CCN(C)C.C([Li])CCC.[O:14]1[CH2:18][CH2:17][C:16]2[CH:19]=[CH:20][CH:21]=[CH:22][C:15]1=2.[C:23](=[O:25])=[O:24]>CCCCCC>[O:14]1[CH2:18][CH2:17][C:16]2[CH:19]=[CH:20][CH:21]=[C:22]([C:23]([OH:25])=[O:24])[C:15]1=2 | 1 |
ClC=1C=CC(=C(C1)C1=CC(N2[C@@H](CCC2=C1)C=1NC(=CN1)C1=CC2=C(OC(OC2=O)(C)C)C=C1)=O)N1N=NN=C1>>ClC=1C=CC(=C(C1)C1=CC(N2[C@@H](CCC2=C1)C=1NC(=CN1)C=1C=CC(=C(C(=O)O)C1)O)=O)N1N=NN=C1 | 5 |
[Br:1][C:2]1[CH:3]=[C:4]([N+:9]([O-])=O)[CH:5]=[CH:6][C:7]=1F.[F:12][C:13]([F:17])([F:16])[CH2:14][OH:15].C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C>[Br:1][C:2]1[CH:3]=[C:4]([NH2:9])[CH:5]=[CH:6][C:7]=1[O:15][CH2:14][C:13]([F:17])([F:16])[F:12] | 1 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:9]=[CH:10][C:11]([NH2:14])=[N:12][CH:13]=2)=[C:4]([F:15])[CH:3]=1.[CH3:16][N:17]([CH3:30])[S:18]([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=1B(O)O)(=[O:20])=[O:19].C([O-])([O-])=O.[K+].[K+].C(Cl)Cl>C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2]>[NH2:14][C:11]1[N:12]=[CH:13][C:8]([C:5]2[CH:6]=[CH:7][C:2]([C:22]3[C:21]([S:18]([N:17]([CH3:30])[CH3:16])(=[O:19])=[O:20])=[CH:26][CH:25]=[CH:24][CH:23]=3)=[CH:3][C:4]=2[F:15])=[N:9][CH:10]=1 | 1 |
[O:1]=[C:2]([CH2:6][CH2:7][C:8]([OH:10])=[O:9])[C:3]([OH:5])=[O:4].[OH-].[K+:12].[CH:13](=O)[CH:14]([CH3:16])[CH3:15]>O>[K+:12].[CH:13](=[C:6]([CH2:7][C:8]([OH:10])=[O:9])[C:2](=[O:1])[C:3]([O-:5])=[O:4])[CH:14]([CH3:16])[CH3:15] | 2 |
[Cl:1]N1C(=O)CCC1=O.CN(C)C=O.[CH:14]1([CH2:17][N:18]2[CH:26]=[N:25][C:24]3[C:19]2=[N:20][C:21]([C:33]2[CH:34]=[N:35][C:36]([CH2:39][NH:40][C:41](=[O:47])[O:42][C:43]([CH3:46])([CH3:45])[CH3:44])=[N:37][CH:38]=2)=[N:22][C:23]=3[N:27]2[CH2:32][CH2:31][O:30][CH2:29][CH2:28]2)[CH2:16][CH2:15]1>C(OCC)(=O)C>[Cl:1][C:26]1[N:18]([CH2:17][CH:14]2[CH2:16][CH2:15]2)[C:19]2[C:24]([N:25]=1)=[C:23]([N:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1)[N:22]=[C:21]([C:33]1[CH:38]=[N:37][C:36]([CH2:39][NH:40][C:41](=[O:47])[O:42][C:43]([CH3:44])([CH3:46])[CH3:45])=[N:35][CH:34]=1)[N:20]=2 | 1 |
Cl[C:2]1[CH:7]=[CH:6][C:5]([C:8](=[O:17])[C:9]2[CH:14]=[CH:13][C:12]([CH3:15])=[C:11]([CH3:16])[CH:10]=2)=[CH:4][CH:3]=1.[SH:18][CH2:19][CH2:20][OH:21].C([O-])([O-])=O.[K+].[K+].O>CC(N(C)C)=O.CCOCC>[OH:21][CH2:20][CH2:19][S:18][C:2]1[CH:7]=[CH:6][C:5]([C:8](=[O:17])[C:9]2[CH:14]=[CH:13][C:12]([CH3:15])=[C:11]([CH3:16])[CH:10]=2)=[CH:4][CH:3]=1 | 1 |
C(C1=CC=CC=C1)(=O)OC(C)[C@H]1OC([C@H](C1)OS(=O)(=O)C(F)(F)F)OC>>C(C1=CC=CC=C1)(=O)OC(C)[C@H]1OC([C@@H](C1)N=[N+]=[N-])OC | 5 |
[Li+].[CH2:2]1[C:5](=[O:6])[N:4]2[C@@H:7]([C:13]([O-:15])=[O:14])/[C:8](/[O:12][C@H:3]12)=[CH:9]/[CH2:10][OH:11].C(=O)([O-])[O-].[K+:20].[K+].C1C(=O)N2[C@@H](C(O)=O)/C(/O[C@H]12)=C/CO.C(=O)([O-])[O-].[Li+].[Li+]>O.CC(C)=O>[CH2:2]1[C:5](=[O:6])[N:4]2[C@@H:7]([C:13]([O-:15])=[O:14])/[C:8](/[O:12][C@H:3]12)=[CH:9]/[CH2:10][OH:11].[K+:20] | 1 |
CN([C@H](CN1C(C2=CC=CC=C2C1=O)=O)CC=1C=C2C(=CN1)N(N=C2)S(=O)(=O)C2=CC=CC=C2)C>CCO[H].NN>CN([C@H](CN)CC=1C=C2C(=CN1)N(N=C2)S(=O)(=O)C2=CC=CC=C2)C | 3 |
C(C)(C)(C)OC(=O)NCC1=CC=C(C=C1)CCC(C)(C)C>CO[H].Cl.O1CCOCC1>CC(CCC1=CC=C(CN)C=C1)(C)C | 3 |
Cl[Si]1(CCCCC1)CCCCC(=O)OCC1=CC=CC=C1>>O[Si]1(CCCCC1)CCCCC(=O)OCC1=CC=CC=C1 | 5 |
N1(CCC1)C(=O)C=1N=CC(=NC1)Cl.FC(OC[C@H](C)OC=1C=C(C(=O)OC)C=C(C1)O)F>CC#N.C([O-])([O-])=O.[K+].[K+]>N1(CCC1)C(=O)C=1N=CC(=NC1)OC=1C=C(C(=O)OC)C=C(C1)O[C@H](COC(F)F)C | 3 |
[Cl:1][C:2]1[C:3]([N:15]([CH3:17])[CH3:16])=[CH:4][C:5]2[O:10][CH:9]([C:11]([OH:13])=O)[CH2:8][NH:7][C:6]=2[CH:14]=1.CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C.[F:48][C:49]1[CH:63]=[CH:62][C:52]([CH2:53][C:54]2([C:60]#[N:61])[CH2:59][CH2:58][NH:57][CH2:56][CH2:55]2)=[CH:51][CH:50]=1>ClCCl.O>[Cl:1][C:2]1[C:3]([N:15]([CH3:17])[CH3:16])=[CH:4][C:5]2[O:10][CH:9]([C:11]([N:57]3[CH2:58][CH2:59][C:54]([CH2:53][C:52]4[CH:51]=[CH:50][C:49]([F:48])=[CH:63][CH:62]=4)([C:60]#[N:61])[CH2:55][CH2:56]3)=[O:13])[CH2:8][NH:7][C:6]=2[CH:14]=1 | 2 |
[OH:1][C:2]1[C:7]2[N:8]([CH3:15])[C:9]3[CH:10]=[CH:11][CH:12]=[CH:13][C:14]=3[C:6]=2[S:5](=[O:17])(=[O:16])[NH:4][C:3]=1[C:18](OC)=[O:19].[NH2:22][C:23]1[S:24][CH:25]=[CH:26][N:27]=1>C1(C)C(C)=CC=CC=1>[OH:1][C:2]1[C:7]2[N:8]([CH3:15])[C:9]3[CH:10]=[CH:11][CH:12]=[CH:13][C:14]=3[C:6]=2[S:5](=[O:17])(=[O:16])[NH:4][C:3]=1[C:18]([NH:22][C:23]1[S:24][CH:25]=[CH:26][N:27]=1)=[O:19] | 1 |
[N+:1]([C:4]1[CH:5]=[CH:6][C:7]([N:10]2[CH2:15][CH2:14][CH:13]([O:16][C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=3[C:23]([F:26])([F:25])[F:24])[CH2:12][CH2:11]2)=[N:8][CH:9]=1)([O-])=O>CCOC(C)=O.[Pd]>[F:26][C:23]([F:24])([F:25])[C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=1[O:16][CH:13]1[CH2:12][CH2:11][N:10]([C:7]2[N:8]=[CH:9][C:4]([NH2:1])=[CH:5][CH:6]=2)[CH2:15][CH2:14]1 | 1 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([NH:14]S(C2C=CC=CC=2)(=O)=O)=[C:6]([CH:13]=1)/[CH:7]=[CH:8]/[C:9]([O:11][CH3:12])=[O:10].ClC1C=C2C(C(CC(O)=O)=[C:30]([C:34]([C:36]3[CH:41]=[CH:40][C:39]([CH3:42])=[CH:38][N:37]=3)=[O:35])N2)=CC=1>>[CH3:12][O:11][C:9](=[O:10])[CH2:8][C:7]1[C:6]2[C:5](=[CH:4][CH:3]=[C:2]([Cl:1])[CH:13]=2)[NH:14][C:30]=1[C:34]([C:36]1[CH:41]=[CH:40][C:39]([CH3:42])=[CH:38][N:37]=1)=[O:35] | 1 |
C(C=C)(=O)OCC.BrC=1C=C(C=CC1)C1=NC2=C(NC(C1)=O)C=C(C(=C2)C)C(F)(F)F>CC#N.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CCN(CC)CC.CC1=C(C=CC=C1)P(C1=C(C=CC=C1)C)C1=C(C=CC=C1)C>CC1=CC\2=C(NC(C\C(=N2)\C=2C=C(C=CC2)C=CC(=O)OCC)=O)C=C1C(F)(F)F | 3 |
[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][CH:7]=[C:6]2[O:15][C:16]1[CH:21]=[CH:20][C:19]([NH:22][C:23](=O)[CH2:24][O:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=2[CH3:32])=[CH:18][C:17]=1[CH3:34].Cl.[OH-].[Na+]>O1CCCC1>[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][CH:7]=[C:6]2[O:15][C:16]1[CH:21]=[CH:20][C:19]([NH:22][CH2:23][CH2:24][O:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=2[CH3:32])=[CH:18][C:17]=1[CH3:34] | 1 |
C1(CC1)C1=C(C(=NO1)C1=C(C=CC=C1)C(F)(F)F)CO[C@H]1[C@@H]2CN([C@H](C1)C2)C=2SC1=C(N2)C(=CC(=C1)C(=O)OC)F>O.C1CCCO1.CO[H].Cl.[OH-].[Li+]>C1(CC1)C1=C(C(=NO1)C1=C(C=CC=C1)C(F)(F)F)CO[C@H]1[C@@H]2CN([C@H](C1)C2)C=2SC1=C(N2)C(=CC(=C1)C(=O)O)F | 3 |
C(CC=C)C(C(=O)O)CCCCCCC.N[C@H](C(=O)N[C@H](C(=O)OCC)CC(CC=C)C(N(C)C)=O)CC(C)C>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>C(CC=C)C(C(=O)N[C@H](C(=O)N[C@H](C(=O)OCC)CC(CC=C)C(N(C)C)=O)CC(C)C)CCCCCCC | 3 |
BrC1=CC=C(C=C1)O>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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].C(C)(=O)[O-].[K+]>CC1(OB(OC1(C)C)C1=CC=C(C=C1)O)C | 3 |
IC1=C(C=C(C=C1C)C(F)(F)F)OCOC>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CCN(CC)CC.CC1(OBOC1(C)C)C.C1(CCCCC1)P(C1=C(C=CC=C1)C1=CC=CC=C1)C1CCCCC1>COCOC1=C(C(=CC(=C1)C(F)(F)F)C)B1OC(C(O1)(C)C)(C)C | 3 |
C(=O)=O.ClC=1C2=C(N=CN1)SC=C2C2=C(C(=C(C=C2)OCCN2CCN(CC2)C)Cl)C>>ClC=1C2=C(N=CN1)SC(=C2C2=C(C(=C(C=C2)OCCN2CCN(CC2)C)Cl)C)C(=O)O | 5 |
[CH3:1][O:2][C:3]([C:5]1[C:6]2[CH:7]=[N:8][NH:9][C:10]=2[CH:11]=[CH:12][CH:13]=1)=[O:4].[Br:14]N1C(=O)CCC1=O.[OH-].[K+]>CN(C=O)C.[Cl-].[NH4+]>[CH3:1][O:2][C:3]([C:5]1[C:6]2[C:7]([Br:14])=[N:8][NH:9][C:10]=2[CH:11]=[CH:12][CH:13]=1)=[O:4] | 1 |
[OH:1][C:2]1[CH:9]=[CH:8][CH:7]=[C:6]([O:10][CH3:11])[C:3]=1[CH:4]=[O:5].Br[CH2:13][CH2:14][CH2:15][CH2:16][C:17]([O:19][CH2:20][CH3:21])=[O:18].C(=O)([O-])[O-].[K+].[K+]>[I-].[Na+].C(O)C>[CH:4]([C:3]1[C:6]([O:10][CH3:11])=[CH:7][CH:8]=[CH:9][C:2]=1[O:1][CH2:13][CH2:14][CH2:15][CH2:16][C:17]([O:19][CH2:20][CH3:21])=[O:18])=[O:5] | 1 |
Cl[C:2]1[C:3]2[S:10][CH:9]=[C:8]([CH3:11])[C:4]=2[N:5]=[CH:6][N:7]=1.[NH2:12][CH:13]1[CH2:21][C:20]2[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=2)[CH2:14]1>C(O)C>[CH2:14]1[C:15]2[C:20](=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH2:21][CH:13]1[NH:12][C:2]1[C:3]2[S:10][CH:9]=[C:8]([CH3:11])[C:4]=2[N:5]=[CH:6][N:7]=1 | 1 |
CC1=CC=C(C=C1)CC(=O)O>ClCCl.[N+](=O)(O)[O-]>CC1=C(C=C(C=C1)CC(=O)O)[N+](=O)[O-] | 3 |
C1N2CN3CN1CN(C2)C3.C(C1=CC=CC=C1)OC1=CC=C(C=C1)C(CBr)=O>C(Cl)(Cl)(Cl)[H]>Cl.NCC(=O)C1=CC=C(C=C1)OCC1=CC=CC=C1 | 3 |
C1(=CC=C(C=C1)C(=O)N1CCC(CC1)C1=NC2=C(N1)C=CC(=C2)OC)C2=CC=CC=C2>>C1(=CC=C(C=C1)C(=O)N1CCC(CC1)C1=NC2=C(N1)C=CC(=C2)O)C2=CC=CC=C2 | 5 |
COC(CC[C@@H](C=O)O[Si](C)(C)C(C)(C)C)=O>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl>COC(CC[C@@H](C=C(Br)Br)O[Si](C)(C)C(C)(C)C)=O | 3 |
C1(CC1)C=1C(=NC(=NC1OCCOCP(=O)(OC(C)C)OC(C)C)N)N>CC#N.C[Si](C)(C)Br>NC1=NC(=C(C(=N1)OCCOCP(O)(O)=O)C1CC1)N | 3 |
[CH3:1][CH2:2][C@@:3]1(O)[C:8](=[O:9])[O:7][CH2:6][C:5]2[C:10]([N:12]3[C:24](=[CH:25][C:4]1=2)[C:23]1[N:22]=[C:21]2[C:16]([CH:17]=[CH:18][CH:19]=[CH:20]2)=[CH:15][C:14]=1[CH2:13]3)=[O:11]>O1CCOCC1>[CH3:1][CH2:2][C@H:3]1[C:8](=[O:9])[O:7][CH2:6][C:5]2[C:10]([N:12]3[C:24](=[CH:25][C:4]1=2)[C:23]1[C:14](=[CH:15][C:16]2[C:21]([N:22]=1)=[CH:20][CH:19]=[CH:18][CH:17]=2)[CH2:13]3)=[O:11] | 1 |
C(N1C=CN=C1)(N1C=CN=C1)=O.[NH:13]([C:25]([O:27][C:28]([CH3:31])([CH3:30])[CH3:29])=[O:26])[C@@H:14]([C:22]([OH:24])=O)[CH2:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1.[O:32]1[CH2:37][CH2:36][CH:35]([CH2:38][N:39]2[CH2:44][CH2:43][CH:42]([CH2:45][NH2:46])[CH2:41][CH2:40]2)[CH2:34][CH2:33]1.[OH-].[Na+]>O1CCCC1>[C:28]([O:27][C:25](=[O:26])[NH:13][C@@H:14]([C:22](=[O:24])[NH:46][CH2:45][CH:42]1[CH2:41][CH2:40][N:39]([CH2:38][CH:35]2[CH2:34][CH2:33][O:32][CH2:37][CH2:36]2)[CH2:44][CH2:43]1)[CH2:15][C:16]1[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=1)([CH3:31])([CH3:30])[CH3:29] | 1 |
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