smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
CCN(C(C)C)C(C)C.[CH3:10][N:11]([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)[C:12]1[CH:20]=[CH:19][C:15]([C:16]([OH:18])=O)=[CH:14][CH:13]=1.CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.[NH2:48][CH2:49][C:50]([N:52]1[CH2:57][CH2:56][N:55]([C:58](=[O:69])[C:59]2[CH:64]=[CH:63][CH:62]=[CH:61][C:60]=2[C:65]([F:68])([F:67])[F:66])[CH2:54][CH2:53]1)=[O:51].C(O)(C(F)(F)F)=O>CN(C=O)C.O>[CH3:10][N:11]([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)[C:12]1[CH:13]=[CH:14][C:15]([C:16]([NH:48][CH2:49][C:50](=[O:51])[N:52]2[CH2:53][CH2:54][N:55]([C:58](=[O:69])[C:59]3[CH:64]=[CH:63][CH:62]=[CH:61][C:60]=3[C:65]([F:66])([F:68])[F:67])[CH2:56][CH2:57]2)=[O:18])=[CH:19][CH:20]=1 | 1 |
OC=1NC2=C(N1)C=CC=C2>O.[OH-].[Na+].P(=O)(Cl)(Cl)Cl>ClC1=NC2=C(N1)C=CC=C2 | 3 |
BrC=1C=CC(=C(C(=O)OC)C1)NS(=O)(=O)C>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>BrC1=CC(=C(C=C1)NS(=O)(=O)C)CO | 3 |
Br[C:2]1[CH:3]=[C:4]([Cl:18])[C:5]([N:8]2[CH2:13][CH2:12][CH:11]([C:14]([OH:17])([CH3:16])[CH3:15])[CH2:10][CH2:9]2)=[N:6][CH:7]=1.CC1(C)C(C)(C)[O:23][B:22](B2OC(C)(C)C(C)(C)O2)[O:21]1>O1CCOCC1.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]>[Cl:18][C:4]1[CH:3]=[C:2]([B:22]([OH:23])[OH:21])[CH:7]=[N:6][C:5]=1[N:8]1[CH2:13][CH2:12][CH:11]([C:14]([OH:17])([CH3:16])[CH3:15])[CH2:10][CH2:9]1 | 2 |
CN1N=NC=C1.ClC1=C(C(=NC2=CC=C(C=C12)C(=O)C=1C(=NOC1C)C)OC)CC1=CC=C(C=C1)C(F)(F)F>>ClC1=C(C(=NC2=CC=C(C=C12)C(O)(C1=CN=NN1C)C=1C(=NOC1C)C)OC)CC1=CC=C(C=C1)C(F)(F)F | 5 |
C[Al](C)C.[CH:5]1([CH2:8][NH:9][CH2:10][CH2:11][CH3:12])[CH2:7][CH2:6]1.C(O[C:16]([C:18]1[N:22]2[C:23]3[CH:24]=[C:25]([F:39])[CH:26]=[CH:27][C:28]=3[N:29]([C:30]3[C:35]([CH3:36])=[CH:34][C:33]([CH3:37])=[CH:32][C:31]=3[CH3:38])[C:21]2=[N:20][C:19]=1[CH3:40])=[O:17])C.[OH-].[Na+]>C1C=CC=CC=1>[CH:5]1([CH2:8][N:9]([CH2:10][CH2:11][CH3:12])[C:16]([C:18]2[N:22]3[C:23]4[CH:24]=[C:25]([F:39])[CH:26]=[CH:27][C:28]=4[N:29]([C:30]4[C:35]([CH3:36])=[CH:34][C:33]([CH3:37])=[CH:32][C:31]=4[CH3:38])[C:21]3=[N:20][C:19]=2[CH3:40])=[O:17])[CH2:7][CH2:6]1 | 1 |
Cl.[CH:2]1([CH2:8][NH:9][CH2:10][CH2:11][C:12]2[CH:21]=[CH:20][C:15]([C:16](OC)=[O:17])=[C:14]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=3[CH3:28])[CH:13]=2)[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3]1.[Li+].[OH-].[NH2:31][C@H:32]([C:37]([O:39][CH3:40])=[O:38])[CH2:33][CH2:34][S:35][CH3:36].Cl.CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1>CO.CN(C=O)C.CCOC(C)=O>[CH3:40][O:39][C:37](=[O:38])[C@H:32]([CH2:33][CH2:34][S:35][CH3:36])[NH:31][C:16](=[O:17])[C:15]1[CH:20]=[CH:21][C:12]([CH2:11][CH2:10][NH:9][CH2:8][CH:2]2[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3]2)=[CH:13][C:14]=1[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=1[CH3:28] | 1 |
Cl[C:2]1[N:7]=[C:6]([CH3:8])[CH:5]=[CH:4][N:3]=1.[NH2:9][C:10]1[CH:11]=[CH:12][C:13]([Cl:17])=[C:14]([OH:16])[CH:15]=1>CCO>[Cl:17][C:13]1[CH:12]=[CH:11][C:10]([NH:9][C:2]2[N:7]=[C:6]([CH3:8])[CH:5]=[CH:4][N:3]=2)=[CH:15][C:14]=1[OH:16] | 1 |
[CH2:1]([O:8][C:9]1[C:10](I)=[N:11][C:12]([Cl:15])=[CH:13][CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:17]([OH:20])[C:18]#[CH:19].O>CCN(CC)CC.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Cu]I>[CH2:1]([O:8][C:9]1[C:10]([C:19]#[C:18][CH2:17][OH:20])=[N:11][C:12]([Cl:15])=[CH:13][CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[H-].[Na+].[CH3:3][N:4]([CH3:14])[C:5]1[CH:6]=[C:7]([CH:10]=[CH:11][C:12]=1[OH:13])[CH:8]=[O:9].[CH3:15][O:16][CH2:17]Cl.O>CN(C=O)C>[CH3:3][N:4]([CH3:14])[C:5]1[CH:6]=[C:7]([CH:10]=[CH:11][C:12]=1[O:13][CH2:15][O:16][CH3:17])[CH:8]=[O:9] | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NC1=NC=CC=C1C(C)=O>C(C)(C)(C)O>C(C)(=O)C=1C(=NC=CC1)NC(OC(C)(C)C)=O | 3 |
[CH2:1]([O:3][C:4](=[O:20])[CH:5]([O:17][CH2:18][CH3:19])[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([OH:13])=[CH:9][C:8]=1[O:14][CH2:15][CH3:16])[CH3:2].[CH3:21][C:22]1[S:26][C:25]([C:27]2[CH:32]=[CH:31][C:30]([C:33]([F:36])([F:35])[F:34])=[CH:29][CH:28]=2)=[N:24][C:23]=1[CH2:37][CH2:38]O.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OC(C)(C)C)=O)=NC(OC(C)(C)C)=O>O1CCCC1>[CH2:1]([O:3][C:4](=[O:20])[CH:5]([O:17][CH2:18][CH3:19])[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([O:13][CH2:38][CH2:37][C:23]2[N:24]=[C:25]([C:27]3[CH:32]=[CH:31][C:30]([C:33]([F:36])([F:34])[F:35])=[CH:29][CH:28]=3)[S:26][C:22]=2[CH3:21])=[CH:9][C:8]=1[O:14][CH2:15][CH3:16])[CH3:2] | 1 |
C(C)(=S)O.C(C=C)C1=CC=C(C=C1)C1OCC(CO1)(C)C>>C(C)(=O)SCCCC1=CC=C(C=C1)C1OCC(CO1)(C)C | 5 |
C(CC(=O)C)(=O)OCC.C(OC)(OC)OC.FC1=C(CN)C(=CC=C1)F>>C(C)OC(\C=C(\C)/NCC1=C(C=CC=C1F)F)=O | 3 |
COC=1C=C(C=CC1OC)S(=O)(=O)Cl.N[C@@H](CCCCNS(=O)(=O)NC(OC(C)(C)C)=O)C(NC=1C=CC=C2C=CC=NC12)=O>ClCCl.c1ccncc1>COC=1C=C(C=CC1OC)S(=O)(=O)N[C@@H](CCCCNS(=O)(=O)NC(OC(C)(C)C)=O)C(NC=1C=CC=C2C=CC=NC12)=O | 3 |
[NH2:1][C:2]1[N:7]=[CH:6][N:5]=[C:4]([N:8]2[CH2:12][CH2:11][CH:10]([NH:13]C(=O)OC(C)(C)C)[CH2:9]2)[CH:3]=1.[H-].[Na+].Cl[C:24]1[S:25][C:26]([C:29]#[N:30])=[CH:27][N:28]=1>>[NH2:13][CH:10]1[CH2:11][CH2:12][N:8]([C:4]2[N:5]=[CH:6][N:7]=[C:2]([NH:1][C:24]3[S:25][C:26]([C:29]#[N:30])=[CH:27][N:28]=3)[CH:3]=2)[CH2:9]1 | 1 |
BrC=1C(=C2C=CC=NC2=CC1)[N+](=O)[O-].CN1N=CC(=C1)C=1C=CC=2N(N1)C(=NN2)S>>CN1N=CC(=C1)C=1C=CC=2N(N1)C(=NN2)SC=2C(=C1C=CC=NC1=CC2)[N+](=O)[O-] | 5 |
CC(C)CC(C1(CCC1)C=2C=CC(=CC2)Cl)N(C)C>>CC(C)CC(C1(CCC1)C=2C=CC(=CC2)Cl)N(C)C.Cl | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH2:9][C:10]#[N:11])[CH:5]=[C:6]([Cl:8])[CH:7]=1.[H-].[Na+].Br[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]Br.O>CN(C)C=O>[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2([C:10]#[N:11])[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]2)[CH:5]=[C:6]([Cl:8])[CH:7]=1 | 1 |
[H-].[H-].[H-].[H-].[Li+].[Al+3].C[O:8][C:9](=O)[C:10]1[CH:15]=[CH:14][C:13]([CH2:16][O:17][CH3:18])=[N:12][C:11]=1[NH2:19].N>C1COCC1>[NH2:19][C:11]1[C:10]([CH2:9][OH:8])=[CH:15][CH:14]=[C:13]([CH2:16][O:17][CH3:18])[N:12]=1 | 1 |
ClC1=CC2=C(C=N1)[C@@]1(C(N2)=O)[C@H]([C@@H]2C(O[C@H]([C@H](N2C12CCC(CC2)(C)C)C2=CC=CC=C2)C2=CC=CC=C2)=O)C2=C(C(=CC=C2)Cl)F>CO[H].[OH-].[Na+]>ClC1=CC2=C(C=N1)C1(C(N2)=O)C2(N[C@H]([C@@H]1C1=C(C(=CC=C1)Cl)F)C(=O)O)CCC(CC2)(C)C | 3 |
[F:1][C:2]1[CH:3]=[C:4]([C@H:9]2[N:14](C(OC(C)(C)C)=O)[C:13](=[O:22])[C:12]([CH2:25][CH3:26])([CH2:23][CH3:24])[CH2:11][CH2:10]2)[CH:5]=[C:6]([F:8])[CH:7]=1.C(O)(C(F)(F)F)=O>C(Cl)Cl>[F:1][C:2]1[CH:3]=[C:4]([C@H:9]2[NH:14][C:13](=[O:22])[C:12]([CH2:25][CH3:26])([CH2:23][CH3:24])[CH2:11][CH2:10]2)[CH:5]=[C:6]([F:8])[CH:7]=1 | 1 |
C(C1=CC=CC=C1)OC=1C(=C(C(=NC1C)N)C)C.C(C1=CC=CC=C1)(=O)N=C=O>ClCCl>C(C1=CC=CC=C1)OC=1C(=C(C(=NC1C)NC(=O)NC(C1=CC=CC=C1)=O)C)C | 3 |
FC(F)(F)S(O[C:7]1[CH:12]=[CH:11][CH:10]=[C:9]([C:13]2([C:25]3[CH:30]=[CH:29][N:28]=[C:27]([C:31]([F:34])([F:33])[F:32])[CH:26]=3)[C:21]3[C:16](=[C:17]([F:23])[CH:18]=[C:19]([Cl:22])[CH:20]=3)[C:15]([NH2:24])=[N:14]2)[CH:8]=1)(=O)=O.[N:37]1[CH:42]=[C:41](B(O)O)[CH:40]=[N:39][CH:38]=1>>[Cl:22][C:19]1[CH:20]=[C:21]2[C:16]([C:15]([NH2:24])=[N:14][C:13]2([C:9]2[CH:10]=[CH:11][CH:12]=[C:7]([C:41]3[CH:42]=[N:37][CH:38]=[N:39][CH:40]=3)[CH:8]=2)[C:25]2[CH:30]=[CH:29][N:28]=[C:27]([C:31]([F:34])([F:33])[F:32])[CH:26]=2)=[C:17]([F:23])[CH:18]=1 | 2 |
C(C)(C)(C)OC(C(C)NNC(=O)OCC1=CC=CC=C1)=O>Cl.[HH].C(C)(=O)OCC.[Pd]>Cl.N(N)C(C(=O)OC(C)(C)C)C | 3 |
[CH2:1]([NH2:3])[CH3:2].[C:4]([NH:11][CH2:12][CH2:13][CH2:14][C:15]([OH:17])=O)([O:6][C:7]([CH3:10])([CH3:9])[CH3:8])=[O:5]>C(Cl)Cl>[C:7]([O:6][C:4](=[O:5])[NH:11][CH2:12][CH2:13][CH2:14][C:15](=[O:17])[NH:3][CH2:1][CH3:2])([CH3:8])([CH3:9])[CH3:10] | 1 |
N1=C(C=CC=C1)N(C1=NC=CC=C1)CC1=CC=C(/C(/N)=N/O)C=C1>C1(=CC=CC=C1)C.c1ccncc1.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F>N1=C(C=CC=C1)N(C1=NC=CC=C1)CC1=CC=C(C=C1)C1=NOC(=N1)C(F)(F)F | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl.FC(C=1N=CC2=C(N1)CNCC2)(F)F>>FC(C=1N=CC2=C(N1)CN(CC2)C(=O)OC(C)(C)C)(F)F | 5 |
COCOC.COC(=O)C1(C(C(CC1)(CO)CO)=O)CC1=CC=C(C=C1)Cl>>COC(=O)C1(C(C(CC1)(COCOC)COCOC)=O)CC1=CC=C(C=C1)Cl | 5 |
COC(C1=C(C=C(C=C1)CBr)[N+](=O)[O-])=O>>[N+](=O)([O-])C1=C(C(=O)OC)C=CC(=C1)CSC1=CC=CC=C1 | 5 |
O[CH:2]([C:5]1[N:10]=[CH:9][C:8]([C:11]2[CH:18]=[CH:17][C:14]([C:15]#[N:16])=[CH:13][CH:12]=2)=[CH:7][CH:6]=1)[CH2:3][CH3:4].P(Br)(Br)[Br:20]>C(Cl)(Cl)Cl>[Br:20][CH:2]([C:5]1[N:10]=[CH:9][C:8]([C:11]2[CH:18]=[CH:17][C:14]([C:15]#[N:16])=[CH:13][CH:12]=2)=[CH:7][CH:6]=1)[CH2:3][CH3:4] | 1 |
C(=O)=O.C(Cl)[C@@H]1CO1.N1(C(COCC1)=O)C1=CC=C(N)C=C1.ClC[C@H](CNC1=CC=C(C=C1)N1C(COCC1)=O)O>N(C)(C)C=O.O.C1(=CC=NC=C1)N(C)C.ClCCl.C(C)(=O)OCC.B(F)(F)F.CCOCC>OC[C@H]1CN(C(O1)=O)C1=CC=C(C=C1)N1C(COCC1)=O | 3 |
[C@@H:1]12[CH2:6][C@@H:5]1[CH2:4][NH:3][C@@H:2]2[CH2:7][NH:8][C:9]([C:11]1[CH:12]=[CH:13][CH:14]=[C:15]2[O:19][CH:18]=[CH:17][C:16]=12)=[O:10].[CH3:20][O:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=1[C:28]1[C:29]([C:34](O)=[O:35])=[CH:30][CH:31]=[CH:32][CH:33]=1>>[CH3:20][O:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=1[C:28]1[C:29]([C:34]([N:3]2[CH2:4][C@@H:5]3[C@@H:1]([CH2:6]3)[C@H:2]2[CH2:7][NH:8][C:9]([C:11]2[CH:12]=[CH:13][CH:14]=[C:15]3[O:19][CH:18]=[CH:17][C:16]=23)=[O:10])=[O:35])=[CH:30][CH:31]=[CH:32][CH:33]=1 | 2 |
N1(CCNCC1)CC(=O)OC(C)(C)C.O=C1NC(CCC1N1C(C=2C=CC=C(C2C1)C=O)=O)=O>ClCCl.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>O=C1NC(CCC1N1C(C2=CC=CC(=C2C1)CN1CCN(CC1)CC(=O)OC(C)(C)C)=O)=O | 3 |
C(#N)C1=C(C=C(C=C1)B(O)O)F.FC1=C(C=CC=C1)N1N=NC(=C1)C(C)N1C=C(C2=C1N=CN=C2N)I>O.O1CCOCC1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].P(=O)([O-])([O-])[O-].[K+].[K+].[K+].COC1=C(C(=CC=C1)OC)C1=C(C=CC=C1)P(C1CCCCC1)C1CCCCC1>NC=1C2=C(N=CN1)N(C=C2C2=CC(=C(C#N)C=C2)F)C(C)C=2N=NN(C2)C2=C(C=CC=C2)F | 3 |
C(C)OC(=O)C1(CCN(CC1)C(=O)N1CCC2=CC=CC=C12)CC(=O)O>C1CCCO1.ClCCl.ClS(Cl)=O>ClC(CC1(CCN(CC1)C(=O)N1CCC2=CC=CC=C12)C(=O)OCC)=O | 3 |
Cl[C:2](Cl)([O:4]C(=O)OC(Cl)(Cl)Cl)Cl.[F:13][C:14]1[C:19]([O:20][CH3:21])=[CH:18][C:17]([O:22][CH3:23])=[C:16]([F:24])[C:15]=1[NH:25][CH2:26][C:27]1[C:28]([NH:44][C:45]2[CH:50]=[CH:49][CH:48]=[CH:47][C:46]=2[F:51])=[C:29]([CH3:43])[C:30]([NH:33][CH2:34][C:35]2[CH:40]=[CH:39][C:38]([O:41][CH3:42])=[CH:37][CH:36]=2)=[N:31][CH:32]=1.C(N(CC)C(C)C)(C)C.[OH-].[Na+]>O1CCCC1>[F:13][C:14]1[C:19]([O:20][CH3:21])=[CH:18][C:17]([O:22][CH3:23])=[C:16]([F:24])[C:15]=1[N:25]1[CH2:26][C:27]2[CH:32]=[N:31][C:30]([NH:33][CH2:34][C:35]3[CH:36]=[CH:37][C:38]([O:41][CH3:42])=[CH:39][CH:40]=3)=[C:29]([CH3:43])[C:28]=2[N:44]([C:45]2[CH:50]=[CH:49][CH:48]=[CH:47][C:46]=2[F:51])[C:2]1=[O:4] | 2 |
[N+](=[N-])=CC(=O)OCC.CC1=NC(=NC(=C1)C)C=C>C1(=CC=CC=C1)C>CC1=NC(=NC(=C1)C)[C@@H]1[C@H](C1)C(=O)OCC | 3 |
FC1=C(C(=CC=C1)F)C(NC=O)S(=O)(=O)C1=CC=C(C=C1)C>>C1(=CC=C(C=C1)S(=O)(=O)C(C1=C(C=CC=C1F)F)[N+]#[C-])C | 5 |
COC(=O)C=1N(N=C(C1)C(F)(F)F)C1=C(C=CC=C1)Cl>>ClC1=C(C=CC=C1)N1N=C(C=C1CO)C(F)(F)F | 5 |
[N:1]1[CH:6]=[CH:5][C:4]([CH:7]([N:10]2C(=O)C3C(=CC=CC=3)C2=O)[CH2:8][CH3:9])=[CH:3][N:2]=1.O.NN>CO>[N:1]1[CH:6]=[CH:5][C:4]([CH:7]([NH2:10])[CH2:8][CH3:9])=[CH:3][N:2]=1 | 1 |
C(#N)C=1C(NC(=C(C1C)C1=CC=CC=C1)C)=O>N.C1(=CC=CC=C1)P(=O)(Cl)Cl>ClC1=NC(=C(C(=C1C#N)C)C1=CC=CC=C1)C | 3 |
[CH2:1]([C:5]1[N:10]=[C:9]([NH:11]CC2C=CC(OC)=C(OC)C=2)[N:8]2[N:23]=[C:24]([C:26]3[O:27][CH:28]=[CH:29][CH:30]=3)[N:25]=[C:7]2[CH:6]=1)[CH2:2][CH2:3][CH3:4].O.C(C1C(=O)C(Cl)=C(Cl)C(=O)C=1C#N)#N.[OH-].[Na+]>ClCCl.C(Cl)(Cl)Cl>[NH2:11][C:9]1[N:8]2[N:23]=[C:24]([C:26]3[O:27][CH:28]=[CH:29][CH:30]=3)[N:25]=[C:7]2[CH:6]=[C:5]([CH2:1][CH2:2][CH2:3][CH3:4])[N:10]=1 | 2 |
C1(CC1)C(=O)N.ClC=1C(=CC(=C(C1)NC(=O)C=1C(N(C=CC1OCC)C1=CC=C(C=C1)F)=O)F)OC1=CC(=NC=C1)Cl>O1CCOCC1.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC=1C(=CC(=C(C1)NC(=O)C=1C(N(C=CC1OCC)C1=CC=C(C=C1)F)=O)F)OC1=CC(=NC=C1)NC(=O)C1CC1 | 3 |
C(CCC)[Sn](C1=CN=NC=C1)(CCCC)CCCC.C(C)(C)(C)OC(=O)N1CCC(CC1)C1CC=2C(=CN=C(C2)Cl)O1>N(C)(C)C=O>C(C)(C)(C)OC(=O)N1CCC(CC1)C1CC=2C(=CN=C(C2)C2=CN=NC=C2)O1 | 3 |
CC1(CC(NC1)=O)C.BrC=1C=2N(N=C(C1)C=1C(NC(NC1)=O)=O)C=CN2>N(C)(C)C=O.O.C(=O)(C(F)(F)F)O.C(=O)([O-])[O-].[Cs+].[Cs+].CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C.CS(=O)(=O)[O-].C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd+2]>CC1(CC(N(C1)C=1C=2N(N=C(C1)C=1C(NC(NC1)=O)=O)C=CN2)=O)C | 3 |
FC1CNC1.[N+](=O)([O-])C1=C(C=CC=C1)C=C>CO[H].CCN(CC)CC>FC1CN(C1)CCC1=C(C=CC=C1)[N+](=O)[O-] | 3 |
Cl[C:2]1[C:7]([Cl:8])=[CH:6][N:5]=[C:4]([C:9]2[CH:10]=[N:11][N:12]3[CH:17]=[CH:16][N:15]=[CH:14][C:13]=23)[N:3]=1.[F:18][C:19]1[CH:20]=[CH:21][C:22]([CH2:25][NH2:26])=[N:23][CH:24]=1.C(N(C(C)C)CC)(C)C>O1CCCC1>[Cl:8][C:7]1[C:2]([NH:26][CH2:25][C:22]2[CH:21]=[CH:20][C:19]([F:18])=[CH:24][N:23]=2)=[N:3][C:4]([C:9]2[CH:10]=[N:11][N:12]3[CH:17]=[CH:16][N:15]=[CH:14][C:13]=23)=[N:5][CH:6]=1 | 1 |
C(C)(=O)OC(C)=O.C(C)(C)N1N=C(C=CC1=O)C(C(=O)C1=CC=CC=C1)=NO>>C(C)(C)N1N=C(C=CC1=O)C(C(C1=CC=CC=C1)=O)NC(C)=O | 5 |
C(#N)C=1C=C(C=CC1F)Br.CC1(OB(OC1(C)C)C1=C2C=CNC2=CC=C1)C>>FC1=C(C#N)C=C(C=C1)C1=C2C=CNC2=CC=C1 | 5 |
Cl.NO.C[N:5](C)/[CH:6]=[CH:7]/[C:8]([C:10]1[CH:15]=[CH:14][C:13]([C:16]2[N:17]=[C:18]3[CH:23]=[CH:22][C:21]([I:24])=[CH:20][N:19]3[CH:25]=2)=[CH:12][CH:11]=1)=[O:9]>C(O)C>[I:24][C:21]1[CH:22]=[CH:23][C:18]2[N:19]([CH:25]=[C:16]([C:13]3[CH:14]=[CH:15][C:10]([C:8]4[O:9][N:5]=[CH:6][CH:7]=4)=[CH:11][CH:12]=3)[N:17]=2)[CH:20]=1 | 1 |
FC1(CCN(CC1)C=1C=C(N)C=C(C1)C)F.BrC=1C=C(C(=C(C1)/N=C/OCC)C#N)N1CCC2(CC2)CC1>C(C)(=O)O>BrC1=CC(=C2C(=NC=NC2=C1)NC1=CC(=CC(=C1)C)N1CCC(CC1)(F)F)N1CCC2(CC2)CC1 | 3 |
Cl[C:2]1[C:7]([F:8])=[CH:6][N:5]=[C:4]2[NH:9][C:10]([CH:12]3[CH2:17][CH2:16][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:14][CH2:13]3)=[CH:11][C:3]=12.[F:25][C:26]1[CH:27]=[CH:28][C:29]([O:35][CH3:36])=[C:30](B(O)O)[CH:31]=1.P([O-])([O-])([O-])=O.[K+].[K+].[K+]>O1CCCC1.O>[F:8][C:7]1[C:2]([C:28]2[CH:27]=[C:26]([F:25])[CH:31]=[CH:30][C:29]=2[O:35][CH3:36])=[C:3]2[CH:11]=[C:10]([CH:12]3[CH2:17][CH2:16][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:14][CH2:13]3)[NH:9][C:4]2=[N:5][CH:6]=1 | 1 |
FC1=CC=C(C=C1)C1=NC2=CC=C(C=C2N=C1N1[C@H](CCC1)C)C(=O)OCCCC>O.CO[H].[OH-].[Na+]>FC1=CC=C(C=C1)C1=NC2=CC=C(C=C2N=C1N1[C@H](CCC1)C)C(=O)O | 3 |
[Cl:1][C:2]1[C:7]([C:8]2[C:9](=[O:21])[N:10]([CH2:19][CH3:20])[C:11]3[C:16]([CH:17]=2)=[CH:15][N:14]=[C:13](Cl)[CH:12]=3)=[CH:6][C:5]([NH:22][C:23]([NH:25][C:26]2[CH:31]=[CH:30][C:29]([F:32])=[C:28]([CH2:33][N:34]3[CH2:39][CH2:38][O:37][CH2:36][CH2:35]3)[CH:27]=2)=[O:24])=[C:4]([F:40])[CH:3]=1.C([O-])([O-])=O.[K+].[K+].[CH:47]([NH2:49])=[O:48].CCOC(C)=O>O1CCOCC1.CC(C1C=C(C(C)C)C(C2C(P(C3CCCCC3)C3CCCCC3)=C(OC)C=CC=2OC)=C(C(C)C)C=1)C.C1C=[C-]C(CCN)=CC=1.Cl[Pd+].CN(C=O)C>[Cl:1][C:2]1[CH:3]=[C:4]([F:40])[C:5]([NH:22][C:23]([NH:25][C:26]2[CH:31]=[CH:30][C:29]([F:32])=[C:28]([CH2:33][N:34]3[CH2:39][CH2:38][O:37][CH2:36][CH2:35]3)[CH:27]=2)=[O:24])=[CH:6][C:7]=1[C:8]1[C:9](=[O:21])[N:10]([CH2:19][CH3:20])[C:11]2[C:16]([CH:17]=1)=[CH:15][N:14]=[C:13]([NH:49][CH:47]=[O:48])[CH:12]=2 | 1 |
[Na].[Cl:2][C:3]1[N:4]=[N:5][C:6](Cl)=[C:7]([CH3:10])[C:8]=1[CH3:9].[CH2:12]([OH:14])[CH3:13]>>[CH2:12]([O:14][C:6]1[N:5]=[N:4][C:3]([Cl:2])=[C:8]([CH3:9])[C:7]=1[CH3:10])[CH3:13] | 1 |
BrC1=CC=C(C=C1)S(=O)(=O)N>>CC1(OB(OC1(C)C)C1=CC=C(C=C1)S(=O)(=O)N)C | 5 |
[OH:1][CH2:2][CH:3]1[CH2:7][CH2:6][CH2:5][NH:4]1.[C:8](Cl)(=[O:10])[CH3:9].[OH-].[K+]>ClCCl>[OH:1][CH2:2][CH:3]1[CH2:7][CH2:6][CH2:5][N:4]1[C:8](=[O:10])[CH3:9] | 1 |
[OH-].[Na+].[Cl:3][C:4]1[CH:9]=[CH:8][C:7]([CH2:10][C:11]([O:13]CC)=[O:12])=[CH:6][C:5]=1[O:16][C:17]1[CH:22]=[CH:21][C:20]([S:23]([CH3:26])(=[O:25])=[O:24])=[CH:19][C:18]=1[Cl:27]>O.C1COCC1>[Cl:3][C:4]1[CH:9]=[CH:8][C:7]([CH2:10][C:11]([OH:13])=[O:12])=[CH:6][C:5]=1[O:16][C:17]1[CH:22]=[CH:21][C:20]([S:23]([CH3:26])(=[O:24])=[O:25])=[CH:19][C:18]=1[Cl:27] | 2 |
C(C(C)C)C1=CC=C(C=C1)C1=NC(=NO1)C1=CC=C(C=C1)[C@@H]1CC2(C(N(C(N2)=O)C)=O)CC1>>NC1(C[C@H](CC1)C1=CC=C(C=C1)C1=NOC(=N1)C1=CC=C(C=C1)CC(C)C)C(=O)NC | 5 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([NH:11][C:12]2[C:13]([NH:22][S:23]([C:26]3[CH:27]=[C:28]([NH:32][C:33]([CH:35]4[CH2:38][NH:37][CH2:36]4)=[O:34])[CH:29]=[CH:30][CH:31]=3)(=[O:25])=[O:24])=[N:14][C:15]3[C:20]([N:21]=2)=[CH:19][CH:18]=[CH:17][CH:16]=3)[CH:6]=[C:7]([O:9][CH3:10])[CH:8]=1.C(O[BH-](O[C:49](=[O:51])[CH3:50])OC(=O)C)(=O)C.C[N+](C)(C)C.Cl[CH2:58][CH2:59]Cl>CN(C=O)C>[CH:50]1([C:49]([N:37]2[CH2:38][CH:35]([C:33]([NH:32][C:28]3[CH:29]=[CH:30][CH:31]=[C:26]([S:23](=[O:25])(=[O:24])[NH:22][C:13]4[C:12]([NH:11][C:5]5[CH:4]=[C:3]([O:2][CH3:1])[CH:8]=[C:7]([O:9][CH3:10])[CH:6]=5)=[N:21][C:20]5[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=5)[N:14]=4)[CH:27]=3)=[O:34])[CH2:36]2)=[O:51])[CH2:59][CH2:58]1 | 1 |
[CH2:1]([O:3][C:4]([C:6]1[N:7]([C:29]2[CH:34]=[CH:33][C:32]([O:35][CH:36]3[CH2:40][CH2:39][CH2:38][CH2:37]3)=[CH:31][CH:30]=2)[C:8]2[C:13]([C:14]=1[CH:15]=[CH:16][C:17]#[N:18])=[CH:12][C:11]([C:19]1[CH:24]=[CH:23][C:22]([C:25]([F:28])([F:27])[F:26])=[CH:21][CH:20]=1)=[CH:10][CH:9]=2)=[O:5])[CH3:2]>CO.C1COCC1.[Pd]>[CH2:1]([O:3][C:4]([C:6]1[N:7]([C:29]2[CH:34]=[CH:33][C:32]([O:35][CH:36]3[CH2:37][CH2:38][CH2:39][CH2:40]3)=[CH:31][CH:30]=2)[C:8]2[C:13]([C:14]=1[CH2:15][CH2:16][C:17]#[N:18])=[CH:12][C:11]([C:19]1[CH:24]=[CH:23][C:22]([C:25]([F:28])([F:26])[F:27])=[CH:21][CH:20]=1)=[CH:10][CH:9]=2)=[O:5])[CH3:2] | 2 |
F[P-](F)(F)(F)(F)F.[Na+].[Cl-].C1CC[N+]12CCCC2>>F[P-](F)(F)(F)(F)F.C1CC[N+]12CCCC2 | 5 |
C(C1=CC=CC=C1)OCCCC(=O)O>ClCCl.CCN(CC)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>C(C1=CC=CC=C1)OCCCC(=O)N[C@H]1C(NC1)=O | 3 |
[OH:1][CH:2]([CH:29]1[CH2:33][O:32]C(C)(C)[O:30]1)[CH2:3][NH:4][S:5]([C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([S:14](=[O:28])(=[O:27])[NH:15][C:16]2[CH:21]=[CH:20][C:19]([F:22])=[CH:18][C:17]=2[C:23]([F:26])([F:25])[F:24])[CH:9]=1)(=[O:7])=[O:6].O>CO>[OH:1][CH:2]([CH:29]([OH:30])[CH2:33][OH:32])[CH2:3][NH:4][S:5]([C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([S:14](=[O:28])(=[O:27])[NH:15][C:16]2[CH:21]=[CH:20][C:19]([F:22])=[CH:18][C:17]=2[C:23]([F:25])([F:26])[F:24])[CH:9]=1)(=[O:6])=[O:7] | 1 |
[F:1][C:2]([F:20])([S:13]([CH2:16][CH2:17][CH2:18][OH:19])(=[O:15])=[O:14])[C:3]([F:12])([F:11])[C:4]([F:10])([F:9])[C:5]([F:8])([F:7])[F:6].C(N(CC)CC)C.[Cl-].[Ca+2].[Cl-].[C:31](Cl)(=[O:34])[CH:32]=[CH2:33]>C(C1C=C(O)C(=CC=1)O)(C)(C)C.ClCCl>[C:31]([O:19][CH2:18][CH2:17][CH2:16][S:13]([C:2]([F:1])([F:20])[C:3]([F:11])([F:12])[C:4]([F:10])([F:9])[C:5]([F:8])([F:7])[F:6])(=[O:15])=[O:14])(=[O:34])[CH:32]=[CH2:33] | 1 |
C(C=C)(=O)Cl.NC=1C(=CC=C2C=CC(=CC12)C1=NC=CC(=N1)C(=O)NC1CCN(CC1)C)OC>O.ClCCl.CCN(CC)CC>COC1=CC=C2C=CC(=CC2=C1NC(C=C)=O)C1=NC=CC(=N1)C(=O)NC1CCN(CC1)C | 3 |
C(#N)CP(OCC)(OCC)=O.NC1=C(C=NN1CCOC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C=O>C1CCCO1.[H-].[Na+]>C(#N)/C=C/C=1C=NN(C1N)CCOC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 | 3 |
[CH3:1][C:2]1[C:3]([OH:11])=[C:4]([CH3:10])[C:5]([CH3:9])=[C:6]([CH:8]=1)[OH:7].C(N(CC)CC)C.[CH3:19][CH2:20][O:21]CC.C(Cl)(=O)C>O>[C:20]([O:11][C:3]1[C:2]([CH3:1])=[CH:8][C:6]([OH:7])=[C:5]([CH3:9])[C:4]=1[CH3:10])(=[O:21])[CH3:19] | 1 |
[N+:1]([O-:4])([O-])=[O:2].[K+].[F:6][CH:7]([F:22])[C:8]1([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=2[F:21])[CH2:13][O:12][CH2:11][C:10]([NH2:14])=[N:9]1.CC(OC)(C)C.[OH-].[Na+]>S(=O)(=O)(O)O>[F:22][CH:7]([F:6])[C:8]1([C:15]2[C:20]([N+:1]([O-:4])=[O:2])=[CH:19][CH:18]=[CH:17][C:16]=2[F:21])[CH2:13][O:12][CH2:11][C:10]([NH2:14])=[N:9]1 | 1 |
[N+:1]([C:4]1[CH:10]=[C:9]([S:11][C:12]#N)[CH:8]=[CH:7][C:5]=1[NH2:6])([O-:3])=[O:2].[BH4-].[Na+].[OH-].[K+].[CH:18]1(CBr)[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]1>C(O)C.C(Cl)(Cl)Cl.O>[CH:18]1([CH2:12][S:11][C:9]2[CH:8]=[CH:7][C:5]([NH2:6])=[C:4]([N+:1]([O-:3])=[O:2])[CH:10]=2)[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]([C:9]2[N:14]=[CH:13][CH:12]=[CH:11][N:10]=2)[CH:5]=[C:6]([F:8])[CH:7]=1.[N+:15]([O-])([OH:17])=[O:16]>OS(O)(=O)=O.O>[F:1][C:2]1[C:3]([N+:15]([O-:17])=[O:16])=[C:4]([C:9]2[N:10]=[CH:11][CH:12]=[CH:13][N:14]=2)[CH:5]=[C:6]([F:8])[CH:7]=1 | 1 |
[C:1]1([OH:9])[C:2](C)=[CH:3][CH:4]=[CH:5][C:6]=1[CH3:7].[C:10]([C:14]1[CH:19]=[CH:18][C:17](C)=[CH:16][C:15]=1[OH:21])(C)(C)C.ClCC=O>>[C:1]1([OH:9])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1.[C:15]1([OH:21])[CH:16]=[CH:17][CH:18]=[CH:19][CH:14]=1.[C:14]1([CH:10]=[CH:7][C:6]2[CH:1]=[CH:2][CH:3]=[CH:4][CH:5]=2)[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1 | 1 |
COC=1C=C(C=C(C1)OC)C1=CC2=C(N=C(N=C2)SC)NC1=O.ICCC=1C=C(C=CC1)NC(OC(C)(C)C)=O>>COC=1C=C(C=C(C1)OC)C1=CC2=C(N=C(N=C2)SC)N(C1=O)CCC=1C=C(C=CC1)NC(OC(C)(C)C)=O | 5 |
[CH2:1]([O:3][C:4]([C:6]1[O:7][C:8]2[CH:15]=[C:14]([O:16]C)[C:13]([Cl:18])=[CH:12][C:9]=2[C:10]=1[CH3:11])=[O:5])[CH3:2].B(Br)(Br)Br.Cl.CCCCCC.CCOC(C)=O>C(Cl)Cl.CCO>[CH2:1]([O:3][C:4]([C:6]1[O:7][C:8]2[CH:15]=[C:14]([OH:16])[C:13]([Cl:18])=[CH:12][C:9]=2[C:10]=1[CH3:11])=[O:5])[CH3:2] | 1 |
[N+](=[N-])=CC(=O)OCC.C[Si](C)(C)C#CC>>C(C)OC(=O)C1=NNC(=C1C)[Si](C)(C)C | 3 |
[CH:1]1([C:4]2[NH:8][N:7]=[C:6]([C:9]3[S:10][C:11]([Cl:14])=[CH:12][CH:13]=3)[C:5]=2[C:15]2[CH:20]=[CH:19][N:18]=[CH:17][CH:16]=2)[CH2:3][CH2:2]1.I[CH:22]([CH3:24])[CH3:23].C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C)C=O.O>[CH:1]1([C:4]2[N:8]([CH:22]([CH3:24])[CH3:23])[N:7]=[C:6]([C:9]3[S:10][C:11]([Cl:14])=[CH:12][CH:13]=3)[C:5]=2[C:15]2[CH:20]=[CH:19][N:18]=[CH:17][CH:16]=2)[CH2:3][CH2:2]1.[CH:1]1([C:4]2[C:5]([C:15]3[CH:20]=[CH:19][N:18]=[CH:17][CH:16]=3)=[C:6]([C:9]3[S:10][C:11]([Cl:14])=[CH:12][CH:13]=3)[N:7]([CH:22]([CH3:24])[CH3:23])[N:8]=2)[CH2:3][CH2:2]1 | 1 |
NC=1C(=NC=CC1)C(=O)N>ClCCl.c1ccncc1.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F>FC(C(=O)NC=1C(=NC=CC1)C(=O)N)(F)F | 3 |
FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H]1[C@@H](N(C(O1)=O)CC1=C(C=CC(=C1)C(F)(F)F)I)C)(F)F.N1(CCCCC1)C=1C=C(C=CC1)B(O)O>C(C)(=O)OCC.C([O-])([O-])=O.[Na+].[Na+].CCCCCC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(C)O.C1(=CC=CC=C1)C.O>FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H]1[C@@H](N(C(O1)=O)CC1=C(C=CC(=C1)C(F)(F)F)C1=C(C=CC(=C1)N1CCCCC1)OC)C)(F)F | 3 |
[CH2:1]([O:8][C:9]1[CH:14]=[C:13]([N:15]2[CH:19]=[C:18]([F:20])[C:17]([F:21])=[CH:16]2)[CH:12]=[CH:11][C:10]=1[N:22]1[CH:27]=[C:26]([O:28][CH3:29])[C:25](=[O:30])[C:24]([C:31](O)=[O:32])=[N:23]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.[CH3:35][NH:36][O:37][CH3:38].CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1>CN(C)C=O.O.C(N(CC)CC)C.O1CCCC1>[CH2:1]([O:8][C:9]1[CH:14]=[C:13]([N:15]2[CH:16]=[C:17]([F:21])[C:18]([F:20])=[CH:19]2)[CH:12]=[CH:11][C:10]=1[N:22]1[CH:27]=[C:26]([O:28][CH3:29])[C:25](=[O:30])[C:24]([C:31]([N:36]([O:37][CH3:38])[CH3:35])=[O:32])=[N:23]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
Cl[C:2]1[C:3]2[CH:11]=[CH:10][S:9][C:4]=2[N:5]=[C:6]([CH3:8])[N:7]=1.[CH3:12][NH:13][C:14]1[CH:21]=[CH:20][C:17]([O:18][CH3:19])=[CH:16][CH:15]=1>>[CH3:19][O:18][C:17]1[CH:20]=[CH:21][C:14]([N:13]([CH3:12])[C:2]2[C:3]3[CH:11]=[CH:10][S:9][C:4]=3[N:5]=[C:6]([CH3:8])[N:7]=2)=[CH:15][CH:16]=1 | 2 |
BrC1CCS(CC1)(=O)=O.C(C)(=O)N1[C@H](CN(C2=CC(=CC=C12)C=1C=NNC1)C(=O)OC1CCC1)C>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(=O)N1[C@H](CN(C2=CC(=CC=C12)C=1C=NN(C1)C1CS(CCC1)(=O)=O)C(=O)OC1CCC1)C | 3 |
[CH2:1]([C:3]1[C:8](/[CH:9]=[CH:10]/[O:11]C)=[CH:7][CH:6]=[CH:5][C:4]=1[C:13]1[S:17][C:16]([C:18]2[CH:19]=[CH:20][C:21]([O:26][CH:27]([CH3:29])[CH3:28])=[C:22]([CH:25]=2)[C:23]#[N:24])=[N:15][CH:14]=1)[CH3:2].Cl>O1CCCC1>[CH2:1]([C:3]1[C:8]([CH2:9][CH:10]=[O:11])=[CH:7][CH:6]=[CH:5][C:4]=1[C:13]1[S:17][C:16]([C:18]2[CH:19]=[CH:20][C:21]([O:26][CH:27]([CH3:28])[CH3:29])=[C:22]([CH:25]=2)[C:23]#[N:24])=[N:15][CH:14]=1)[CH3:2] | 1 |
[Br:1][C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][C:3]=1[OH:12].[O:13]1[CH:18]=[CH:17][CH2:16][CH2:15][CH2:14]1>C(Cl)Cl.C1(C)C=CC(S(O)(=O)=O)=CC=1>[Br:1][C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][C:3]=1[O:12][CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18][O:13]1 | 1 |
Cl.[NH2:2][CH2:3][CH2:4][NH:5][C:6]([C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([CH2:14][N:15]2[C:19]([CH3:20])=[CH:18][C:17]([C:21]3[O:25][N:24]=[C:23]([C:26]4[CH:31]=[CH:30][C:29]([O:32][C:33]([F:36])([F:35])[F:34])=[CH:28][CH:27]=4)[N:22]=3)=[N:16]2)[CH:9]=1)=[O:7].C(=O)(O)[O-]>CO>[NH2:2][CH2:3][CH2:4][NH:5][C:6]([C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([CH2:14][N:15]2[C:19]([CH3:20])=[CH:18][C:17]([C:21]3[O:25][N:24]=[C:23]([C:26]4[CH:27]=[CH:28][C:29]([O:32][C:33]([F:34])([F:35])[F:36])=[CH:30][CH:31]=4)[N:22]=3)=[N:16]2)[CH:9]=1)=[O:7] | 2 |
ClC1=C(C(=CC=C1)Cl)C1=CC2=C(N=C(N=C2)NCCC2CCN(CC2)C(=O)OC(C)(C)C)N2C1=NCC2>ClCCl.C(=O)(C(F)(F)F)O>ClC1=C(C(=CC=C1)Cl)C1=CC2=C(N=C(N=C2)NCCC2CCNCC2)N2C1=NCC2 | 3 |
[CH3:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]2[C:16](=[O:17])[C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[C:9]2=[O:18])=[N:6][CH:7]=1.C1C=C(Cl)C=C(C(OO)=[O:27])C=1>C(Cl)Cl>[O:17]=[C:16]1[C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[C:9](=[O:18])[N:8]1[C:5]1[CH:4]=[CH:3][C:2]([CH3:1])=[CH:7][N+:6]=1[O-:27] | 1 |
CC1(COC=2C1=C(C=CC2)O)C.FC1=CC=C(C=N1)N1C(=NNC1=O)C>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>CC1(COC2=C1C(=CC=C2)OC2=CC=C(C=N2)N2C(NN=C2C)=O)C | 3 |
ClC1=CC=2N(C=C1)C=NC2CNC(=O)C=2C=NN(C2)CC=2N=C1N(C=C(C=C1CO)C1CC1)C2>CS(=O)C.I(=O)(=O)C1=C(C(=O)O)C=CC=C1>ClC1=CC=2N(C=C1)C=NC2CNC(=O)C=2C=NN(C2)CC=2N=C1N(C=C(C=C1C=O)C1CC1)C2 | 3 |
C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OC(C)(C)C)=O)=NC(OC(C)(C)C)=O.[F:36][C:37]([F:46])([F:45])[C:38]1[CH:39]=[CH:40][C:41]([OH:44])=[N:42][CH:43]=1.[Cl:47][C:48]1[CH:53]=[CH:52][C:51](/[CH:54]=[CH:55]/[C:56]([N:58]2[CH2:63][CH2:62][CH:61](O)[CH2:60][CH2:59]2)=[O:57])=[C:50]([CH2:65][N:66]2[N:70]=[N:69][C:68]([CH3:71])=[N:67]2)[CH:49]=1>C(Cl)Cl>[Cl:47][C:48]1[CH:53]=[CH:52][C:51](/[CH:54]=[CH:55]/[C:56]([N:58]2[CH2:63][CH2:62][CH:61]([O:44][C:41]3[CH:40]=[CH:39][C:38]([C:37]([F:36])([F:45])[F:46])=[CH:43][N:42]=3)[CH2:60][CH2:59]2)=[O:57])=[C:50]([CH2:65][N:66]2[N:70]=[N:69][C:68]([CH3:71])=[N:67]2)[CH:49]=1 | 2 |
ClC=1N=C(C(=C2C1SC=C2OC)C=COC)C>Br.C(O)([O-])=O.[Na+]>ClC=1N=C(C(=C2C1SC=C2OC)CC=O)C | 3 |
FC=1C=C(C=CC1F)[N+](=O)[O-].CC1=NC(=CC=C1O)C>>FC1=C(OC=2C(=NC(=CC2)C)C)C=CC(=C1)[N+](=O)[O-] | 5 |
N1=CC(=CC=C1)B(O)O.BrC1=CC(=CC=C1)OCCCCCCCC>ClCCl.C([O-])([O-])=O.[Na+].[Na+].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.C1(=CC=CC=C1)C.O>C(CCCCCCC)OC=1C=C(C=CC1)C=1C=NC=CC1 | 3 |
O[CH2:2][C:3]1[CH:8]=[CH:7][C:6]([S:9][C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)=[C:5]([O:16][CH3:17])[CH:4]=1.S(Cl)([Cl:20])=O>C(Cl)Cl>[Cl:20][CH2:2][C:3]1[CH:8]=[CH:7][C:6]([S:9][C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)=[C:5]([O:16][CH3:17])[CH:4]=1 | 1 |
CI.FC1=CC=C(C=C1)C1=NC=NC=C1N1CCC(CC1)C(=O)N[C@H]1COCC1>>FC1=CC=C(C=C1)C1=NC=NC=C1N1CCC(CC1)C(=O)N([C@H]1COCC1)C | 5 |
COC(=O)C1=CC=2C(=NC=C(N2)SC)N1CC1=CC=C(C=C1)F>>COC(=O)C1=CC=2C(=NC=C(N2)S(=O)(=O)C)N1CC1=CC=C(C=C1)F | 5 |
NCC1C=C(C=CC=1)[C:6]([NH:8][C@@H:9]([C:21](=[O:36])[N:22]([CH2:24][CH2:25][C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=1[O:32][CH2:33][CH2:34][OH:35])[CH3:23])[CH2:10][C:11]1[CH:20]=[CH:19][C:18]2[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=2)[CH:12]=1)=[O:7].[OH:40]N1C2N=CC=CC=2N=N1.Cl.CN(C)CCCN=C=NCC.CNC[CH2:65][C:66]1[CH:75]=CC=C[C:67]=1OCCO.C(N(C(C)C)C(C)C)C>CN(C)C=O.ClCCl.C(OCC)(=O)C>[C:66]([O:7][C:6](=[O:40])[NH:8][C@@H:9]([C:21](=[O:36])[N:22]([CH2:24][CH2:25][C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=1[O:32][CH2:33][CH2:34][OH:35])[CH3:23])[CH2:10][C:11]1[CH:20]=[CH:19][C:18]2[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=2)[CH:12]=1)([CH3:75])([CH3:67])[CH3:65] | 1 |
[C:1]([Si:5]([CH3:42])([CH3:41])[O:6][CH:7]([C:37]([CH3:40])([CH3:39])[CH3:38])[CH2:8][CH2:9][C:10]1[CH:15]=[CH:14][C:13]([C:16]([C:21]2[CH:34]=[CH:33][C:24]([O:25][CH2:26][C@H:27]3[O:31][C:30](=[O:32])[CH2:29][CH2:28]3)=[C:23]([CH3:35])[CH:22]=2)([CH2:19][CH3:20])[CH2:17][CH3:18])=[CH:12][C:11]=1[CH3:36])([CH3:4])([CH3:3])[CH3:2].[H-].[H-].[H-].[H-].[Li+].[Al+3].C(OCC)(=O)C>CCOCC.[Cl-].[Na+].O>[C:1]([Si:5]([CH3:41])([CH3:42])[O:6][CH:7]([C:37]([CH3:40])([CH3:39])[CH3:38])[CH2:8][CH2:9][C:10]1[CH:15]=[CH:14][C:13]([C:16]([C:21]2[CH:34]=[CH:33][C:24]([O:25][CH2:26][C@@H:27]([OH:31])[CH2:28][CH2:29][CH2:30][OH:32])=[C:23]([CH3:35])[CH:22]=2)([CH2:19][CH3:20])[CH2:17][CH3:18])=[CH:12][C:11]=1[CH3:36])([CH3:3])([CH3:2])[CH3:4] | 2 |
N1(CCC2=CC=CC=C12)CC1=CC=C(C(=O)OC)C=C1>C1(=CC=CC=C1)C.C1CCCO1.CC(C)C[AlH]CC(C)C>N1(CCC2=CC=CC=C12)CC1=CC=C(C=C1)CO | 3 |
C(C)OC(CCNC)=O.COC=1C=C(C=NC1)C1=CC(=C(O1)C)C(CC(C)C)NC1=CC=C(C(=O)O)C=C1>>CC(CC(C1=C(OC(=C1)C=1C=NC=C(C1)OC)C)NC1=CC=C(C=C1)C(=O)N(CCC(=O)O)C)C | 5 |
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