smiles
stringlengths 15
6.12k
| source_id
int64 1
5
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|---|---|
[NH:1]1[CH2:6][CH2:5][CH2:4][CH:3]([CH2:7][N:8]2[CH2:17][CH2:16][C:15]3[C:10](=[CH:11][C:12]([O:20][CH3:21])=[C:13]([O:18][CH3:19])[CH:14]=3)[C:9]2=[O:22])[CH2:2]1.[Cl:23][CH2:24][CH2:25][CH2:26][O:27][C:28]1[C:33]([CH3:34])=[CH:32][CH:31]=[CH:30][C:29]=1[CH3:35]>>[ClH:23].[CH3:35][C:29]1[CH:30]=[CH:31][CH:32]=[C:33]([CH3:34])[C:28]=1[O:27][CH2:26][CH2:25][CH2:24][N:1]1[CH2:6][CH2:5][CH2:4][CH:3]([CH2:7][N:8]2[CH2:17][CH2:16][C:15]3[C:10](=[CH:11][C:12]([O:20][CH3:21])=[C:13]([O:18][CH3:19])[CH:14]=3)[C:9]2=[O:22])[CH2:2]1
| 1
|
N[CH:2]1[CH:7]([C:8]2[C:12]3[CH:13]=[CH:14][C:15]([F:17])=[CH:16][C:11]=3[O:10][N:9]=2)[CH2:6][CH2:5][N:4]([CH2:18][CH:19]([OH:21])[CH3:20])[CH2:3]1.C([O-])([O-])=O.[K+].[K+].Br[CH2:29][C:30]1[C:31]([CH2:36]Br)=[CH:32][CH:33]=[CH:34][CH:35]=1.[ClH:38].C(#[N:41])C>C(O)C>[ClH:38].[ClH:38].[F:17][C:15]1[CH:14]=[CH:13][C:12]2[C:8]([CH:7]3[CH2:6][CH2:5][N:4]([CH2:18][CH:19]([OH:21])[CH2:20][N:41]4[CH2:36][C:31]5[C:30](=[CH:35][CH:34]=[CH:33][CH:32]=5)[CH2:29]4)[CH2:3][CH2:2]3)=[N:9][O:10][C:11]=2[CH:16]=1
| 1
|
[C:1]1([CH3:11])[CH:6]=[CH:5][C:4]([S:7]([OH:10])(=[O:9])=[O:8])=[CH:3][CH:2]=1.[NH2:12][CH:13]1[C:32](=[O:33])[N:15]2[CH:16]([C:21]([O:23][CH2:24][O:25][C:26](=[O:31])[C:27]([CH3:30])([CH3:29])[CH3:28])=[O:22])[C:17]([CH3:20])([CH3:19])[S:18][C@H:14]12.F[C:35]1[NH:36][C:37]2[CH:43]=[CH:42][CH:41]=[CH:40][C:38]=2[N:39]=1>C(Cl)Cl>[C:1]1([CH3:11])[CH:2]=[CH:3][C:4]([S:7]([OH:10])(=[O:8])=[O:9])=[CH:5][CH:6]=1.[N:36]1[C:37]2[CH:43]=[CH:42][CH:41]=[CH:40][C:38]=2[NH:39][C:35]=1[NH:12][CH:13]1[C:32](=[O:33])[N:15]2[CH:16]([C:21]([O:23][CH2:24][O:25][C:26](=[O:31])[C:27]([CH3:28])([CH3:30])[CH3:29])=[O:22])[C:17]([CH3:19])([CH3:20])[S:18][C@H:14]12
| 1
|
ClCC(=O)N1CCCC1.C1(CC1)C(=O)N1C[C@@H](CC1)CN1C(NN=C1C1=CC=C(C=C1)C1=CC=C(C=C1)F)=O>>C1(CC1)C(=O)N1C[C@@H](CC1)CN1C(N(N=C1C1=CC=C(C=C1)C1=CC=C(C=C1)F)CC(N1CCCC1)=O)=O
| 5
|
CO.[C:3]([O:11][CH2:12][C@@:13]1([C:32]#[CH:33])[O:17][C@@H:16]([N:18]2[CH:26]=[C:24]([CH3:25])[C:22](=[O:23])[NH:21][C:19]2=[O:20])[CH2:15][C@H:14]1OS(C)(=O)=O)(=[O:10])[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.CCN(C(C)C)C(C)C.CC(OC(C)=O)=O>C1COCC1.CO.CN(C1C=CN=CC=1)C>[C:3]([O:11][CH2:12][C@@:13]1([C:32]#[CH:33])[O:17][C@@H:16]([N:18]2[CH:26]=[C:24]([CH3:25])[C:22](=[O:23])[NH:21][C:19]2=[O:20])[CH:15]=[CH:14]1)(=[O:10])[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1
| 1
|
OC1(C2=CC=CC=C2C=2C=CC=CC12)C(=O)O.ClC=1C=CC(=C(CNC([C@H]2NCCC2)=O)C1)CN1CC(C1)O>N(C)(C)C=O.CCN=C=NCCCN(C)C.ON1N=NC2=C1N=CC=C2>OC1(C2=CC=CC=C2C=2C=CC=CC12)C(=O)N1[C@H](C(=O)NCC2=C(C=CC(=C2)Cl)CN2CC(C2)O)CCC1
| 3
|
[OH:1][C@@H:2]1[C@@H:8]([N:9]2C(=O)C3C(=CC=CC=3)C2=O)[CH2:7][CH2:6][CH2:5][N:4]([S:20]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][N:24]=2)(=[O:22])=[O:21])[CH2:3]1.NN>C(O)C>[NH2:9][C@H:8]1[CH2:7][CH2:6][CH2:5][N:4]([S:20]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][N:24]=2)(=[O:22])=[O:21])[CH2:3][C@@H:2]1[OH:1]
| 2
|
[N+](=O)([O-])C=1C=C(C=CC1)C(=O)NS(=O)(=O)C1=CC=CC=C1>CCO[H].[HH].[Pd]C>C1(=CC=CC=C1)S(=O)(=O)NC(=O)C=1C=C(N)C=CC1
| 3
|
C(#N)C1=CC(=C(NC1=O)CC)C(=O)OCC>>ClC1=NC(=C(C(=O)OCC)C=C1C#N)CC
| 5
|
NC1=C(C=C(C(=O)NC2CCN(CC2)C)C=C1)OC.ClC=1N=CC2=C(N(CC(C(N2CC(F)(F)F)=O)(F)F)C2CCCC2)N1>>C1(CCCC1)N1C2=C(N(C(C(C1)(F)F)=O)CC(F)(F)F)C=NC(=N2)NC2=C(C=C(C(=O)NC1CCN(CC1)C)C=C2)OC
| 5
|
BrC=1SC(=C(N1)CCOC=1C=C2CC[C@H](C2=CC1)CC(=O)OCC)C>C1CCCO1.CCO[H]>C(C)(C)C1=CC=C(C=C1)C=1SC(=C(N1)CCOC=1C=C2CC[C@H](C2=CC1)CC(=O)O)C
| 3
|
ClC=1C=C(C=O)C=CC1.FC(C=1C=C(C=CC1F)NCC(CC)O)(F)F>O=S(=O)(O)C>ClC=1C=C(C=CC1)C1OC(CN1C1=CC(=C(C=C1)F)C(F)(F)F)CC
| 3
|
C(C=C)Br.COC(=O)C=1SC(=C(C1)S(=O)(=O)C1=CC(=CC(=C1)O)Br)SC>>COC(=O)C=1SC(=C(C1)S(=O)(=O)C1=CC(=CC(=C1)Br)OCC=C)SC
| 5
|
BrC=1C=C(C(=O)OC)C=C(C1)CO>ClCCl.[O-2].[O-2].[Mn+4]>BrC=1C=C(C=C(C(=O)OC)C1)C=O
| 3
|
[C:1]([C@H:5]1[CH2:10][CH2:9][C@H:8]([O:11][C:12]2[CH:13]=[C:14]3[C:19](=[CH:20][CH:21]=2)[CH:18]=[C:17]([CH:22]=O)[CH:16]=[CH:15]3)[CH2:7][CH2:6]1)([CH3:4])([CH3:3])[CH3:2].[NH2:24][CH2:25][CH2:26][C:27]([NH:29][S:30]([CH3:33])(=[O:32])=[O:31])=[O:28].[BH3-]C#N.[Na+]>CCO>[C:1]([C@H:5]1[CH2:6][CH2:7][C@H:8]([O:11][C:12]2[CH:21]=[C:20]3[C:15](=[CH:14][CH:13]=2)[CH:16]=[C:17]([CH2:22][NH:24][CH2:25][CH2:26][C:27]([NH:29][S:30]([CH3:33])(=[O:32])=[O:31])=[O:28])[CH:18]=[CH:19]3)[CH2:9][CH2:10]1)([CH3:3])([CH3:2])[CH3:4]
| 1
|
COC=1C=C2C(=CC=NC2=CC1)C=O>>COC=1C=C2C(=CC=NC2=CC1)C1OC1
| 5
|
C(CC(=O)C)(=O)OCC.N1=CC=C(C=C1)C=O>>C(C)(=O)C(C(=O)OCC)CC1=CC=NC=C1
| 5
|
C(C(C)O)O.ClC1=CC=C(C=N1)C(=O)C1=CC=CC=C1>C1(=CC=CC=C1)C.[OH-].[Na+].B(F)(F)F.CCOCC>ClC1=CC=C(C=N1)C1(OCC(O1)C)C1=CC=CC=C1
| 3
|
[NH2:1][C:2]1[NH:11][C:10](=O)[C:9]2[C:8]([C:13]([O:15]C)=O)=[CH:7][CH:6]=[CH:5][C:4]=2[N:3]=1.CCO.[NH2:20][NH2:21]>>[NH2:1][C:2]1[NH:11][C:10]2=[N:20][NH:21][C:13](=[O:15])[C:8]3[C:9]2=[C:4]([CH:5]=[CH:6][CH:7]=3)[N:3]=1
| 2
|
Cl[C:2]1[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][C:11]([Cl:14])=[C:10]([Cl:15])[CH:9]=2)[CH:5]=[C:4]([CH3:16])[N:3]=1.[NH:17]1[CH:21]=[CH:20][N:19]=[CH:18]1>>[Cl:15][C:10]1[CH:9]=[C:8]([C:6]2[CH:5]=[C:4]([CH3:16])[N:3]=[C:2]([N:17]3[CH:21]=[CH:20][N:19]=[CH:18]3)[CH:7]=2)[CH:13]=[CH:12][C:11]=1[Cl:14]
| 1
|
[OH-].[K+].[OH:3][C:4]1[CH:11]=[C:10]([OH:12])[CH:9]=[CH:8][C:5]=1[CH:6]=[O:7].[CH3:13][C:14]([CH3:18])=[CH:15][CH2:16]Br>[Cl-].C([N+](CC)(CC)CC)C1C=CC=CC=1.C(OCC)(=O)C>[CH3:13][C:14]([CH3:18])=[CH:15][CH2:16][O:12][C:10]1[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[C:4]([OH:3])[CH:11]=1
| 1
|
[CH:1]1([O:6][C:7]2[CH:8]=[C:9]([C:13]3[N:14]=[C:15]([CH2:18][O:19][C:20]4[CH:31]=[CH:30][C:23]([O:24][CH2:25][C:26]([O:28]C)=[O:27])=[C:22]([CH3:32])[CH:21]=4)[S:16][CH:17]=3)[CH:10]=[CH:11][CH:12]=2)[CH2:5][CH2:4][CH2:3][CH2:2]1.[Li+].[OH-].Cl.CCOC(C)=O>C1COCC1.O>[CH:1]1([O:6][C:7]2[CH:8]=[C:9]([C:13]3[N:14]=[C:15]([CH2:18][O:19][C:20]4[CH:31]=[CH:30][C:23]([O:24][CH2:25][C:26]([OH:28])=[O:27])=[C:22]([CH3:32])[CH:21]=4)[S:16][CH:17]=3)[CH:10]=[CH:11][CH:12]=2)[CH2:2][CH2:3][CH2:4][CH2:5]1
| 1
|
BrCCNC(OC(C)(C)C)=O.FC1=C(C=CC(=C1)I)O>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>FC1=C(OCCNC(OC(C)(C)C)=O)C=CC(=C1)I
| 3
|
C(C1=CC=CC=C1)(=O)OC1=C(C(=O)C2(C(=N2)C(=O)OCC)Br)C=C(C=C1)Cl>C1(=CC=CC=C1)C>C(C1=CC=CC=C1)(=O)OC1=C(C=C(C=C1)Cl)C1=C(C(=NO1)C(=O)OCC)Br
| 3
|
c1cnc[nH]1.C(C)(C)(C)[Si](C)(C)Cl.C(CC#C)O>C1(=CC=NC=C1)N(C)C.ClCCl>[Si](C)(C)(C(C)(C)C)OCCC#C
| 3
|
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([SH:8])=[CH:4][CH:3]=1.[OH-].[Na+].Br[CH2:12][CH2:13][CH:14]([CH3:16])[CH3:15]>CC(C)=O>[CH3:15][CH:14]([CH3:16])[CH2:13][CH2:12][S:8][C:5]1[CH:6]=[CH:7][C:2]([Br:1])=[CH:3][CH:4]=1
| 1
|
[CH2:1]([N:8]1[C@H:12]([CH2:13][OH:14])[CH2:11][CH2:10][C:9]1=[O:15])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[OH:16][C:17]1[CH:24]=[CH:23][CH:22]=[C:21](O)[C:18]=1[CH:19]=[O:20].C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.CC(OC(/N=N/C(OC(C)C)=O)=O)C.C(C#N)(C)=O>C1COCC1>[CH2:1]([N:8]1[C:9](=[O:15])[CH2:10][CH2:11][C@H:12]1[CH2:13][O:14][C:21]1[CH:22]=[CH:23][CH:24]=[C:17]([OH:16])[C:18]=1[CH:19]=[O:20])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
| 2
|
[N:1]([C:4]1[CH:5]=[CH:6][C:7]([CH3:22])=[C:8]([NH:10][C:11]2[O:12][C:13]([C:16]3[CH:21]=[CH:20][N:19]=[CH:18][CH:17]=3)=[CH:14][N:15]=2)[CH:9]=1)=[C:2]=S.[NH2:23][C:24]1[CH:29]=[C:28]([Cl:30])[CH:27]=[CH:26][C:25]=1[OH:31]>CN(C=O)C.[Hg]=O>[Cl:30][C:28]1[CH:27]=[CH:26][C:25]2[O:31][C:2]([NH:1][C:4]3[CH:5]=[CH:6][C:7]([CH3:22])=[C:8]([NH:10][C:11]4[O:12][C:13]([C:16]5[CH:21]=[CH:20][N:19]=[CH:18][CH:17]=5)=[CH:14][N:15]=4)[CH:9]=3)=[N:23][C:24]=2[CH:29]=1
| 2
|
[N:1]1([C:5]([C@@H:7]2[CH2:12][C@H:11]([N:13]([C:18]([C:20]3[N:24]([CH2:25][CH2:26][CH2:27][CH2:28][O:29][CH3:30])[C:23]4[CH:31]=[C:32]([F:36])[C:33]([F:35])=[CH:34][C:22]=4[N:21]=3)=[O:19])[CH2:14][CH:15]([CH3:17])[CH3:16])[CH2:10][N:9](C(OC(C)(C)C)=O)[CH2:8]2)=[O:6])[CH2:4][CH2:3][CH2:2]1.C(O)(C(F)(F)F)=O>ClCCCl>[N:1]1([C:5]([C@H:7]2[CH2:8][NH:9][CH2:10][C@@H:11]([N:13]([CH2:14][CH:15]([CH3:17])[CH3:16])[C:18]([C:20]3[N:24]([CH2:25][CH2:26][CH2:27][CH2:28][O:29][CH3:30])[C:23]4[CH:31]=[C:32]([F:36])[C:33]([F:35])=[CH:34][C:22]=4[N:21]=3)=[O:19])[CH2:12]2)=[O:6])[CH2:4][CH2:3][CH2:2]1
| 1
|
C(C)(=O)OC(C)=O.FC=1C=CC(=C(C1)NCC1=C(C=CC(=C1)OC)OCCOC1OCCCC1)OC1=CC=CC=C1>c1ccncc1>FC=1C=CC(=C(C1)N(C(C)=O)CC1=C(C=CC(=C1)OC)OCCOC1OCCCC1)OC1=CC=CC=C1
| 3
|
BrCC(C(=O)O)=O.C1CCC12CC(CC(C2)=O)=O>O.CO[H].[OH-].[K+]>O=C1CC2(CCC2)CC2=C1C(=CO2)C(=O)O
| 3
|
C(C)(C)(C)OC(CC(C=1C=NC(=CC1)OC)NCCN(CC=CC1=NC(=CC=C1)NCC1CC1)C(=O)OCC1=CC=CC=C1)=O>CCO[H].[HH].[Pd]>C(C)(C)(C)OC(CC(C=1C=NC(=CC1)OC)NCCNCCCC1=NC(=CC=C1)NCC1CC1)=O
| 3
|
[CH3:1][C:2]1([C:7]2[O:11][C:10]([CH2:12][N:13]3[N:17]=[C:16]([NH2:18])[CH:15]=[N:14]3)=[CH:9][CH:8]=2)[O:6]CCO1.[F:19][C:20]([F:34])([F:33])[O:21][C:22]1[CH:23]=[C:24](/[CH:28]=[CH:29]/[C:30](O)=[O:31])[CH:25]=[CH:26][CH:27]=1>>[C:2]([C:7]1[O:11][C:10]([CH2:12][N:13]2[N:17]=[C:16]([NH:18][C:30](=[O:31])/[CH:29]=[CH:28]/[C:24]3[CH:25]=[CH:26][CH:27]=[C:22]([O:21][C:20]([F:33])([F:34])[F:19])[CH:23]=3)[CH:15]=[N:14]2)=[CH:9][CH:8]=1)(=[O:6])[CH3:1]
| 1
|
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)O.[Na+]>O.[OH-].[Na+]>CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O
| 3
|
NC1=C(C=CC=C1)O>>C(C)(C)NC1=C(C=CC=C1)O
| 5
|
Cl.[F:2][C:3]1[CH:4]=[C:5]2[C:10](=[C:11]([N:13]3[CH2:18][CH2:17][N:16]([CH3:19])[CH2:15][CH2:14]3)[CH:12]=1)[N:9]=[C:8]([C:20]([OH:22])=O)[CH:7]=[C:6]2[O:23][CH3:24].[O:25]1[CH2:30][CH2:29][N:28]([C:31]2[CH:37]=[CH:36][C:34]([NH2:35])=[CH:33][CH:32]=2)[CH2:27][CH2:26]1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.C1C=CC2N(O)N=NC=2C=1>>[N:28]1([C:31]2[CH:32]=[CH:33][C:34]([NH:35][C:20]([C:8]3[CH:7]=[C:6]([O:23][CH3:24])[C:5]4[C:10](=[C:11]([N:13]5[CH2:18][CH2:17][N:16]([CH3:19])[CH2:15][CH2:14]5)[CH:12]=[C:3]([F:2])[CH:4]=4)[N:9]=3)=[O:22])=[CH:36][CH:37]=2)[CH2:27][CH2:26][O:25][CH2:30][CH2:29]1
| 2
|
[C:1]1([S:7][CH2:8][CH:9]([OH:12])[CH2:10][NH2:11])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.O=[C:14]([CH3:31])[CH2:15][O:16][C:17]1[CH:30]=[CH:29][C:20]([CH2:21][CH:22]2[S:26][C:25](=[O:27])[NH:24][C:23]2=[O:28])=[CH:19][CH:18]=1.C([BH3-])#N.[Na+]>CO>[C:1]1([S:7][CH2:8][CH:9]([OH:12])[CH2:10][NH:11][CH:14]([CH3:31])[CH2:15][O:16][C:17]2[CH:18]=[CH:19][C:20]([CH2:21][CH:22]3[S:26][C:25](=[O:27])[NH:24][C:23]3=[O:28])=[CH:29][CH:30]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1
| 1
|
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl.C1(CCCCC1)[C@@H]1C[C@H](NC1)C(=O)O>[OH-].[Na+].O1CCOCC1.OC(=O)CC(O)(CC(O)=O)C(O)=O>C(=O)(OC(C)(C)C)N1[C@@H](C[C@H](C1)C1CCCCC1)C(=O)O
| 3
|
FC([C@H](C)N)(F)F.NC=1C=CC(=NC1C(N)=O)C1CCN(CC1)C1=NC(=NC(=N1)OC[C@@H]1[C@@H](C1)C#N)C(=O)O>N(C)(C)C=O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>NC=1C=CC(=NC1C(N)=O)C1CCN(CC1)C1=NC(=NC(=N1)OC[C@@H]1[C@@H](C1)C#N)C(=O)N[C@H](C(F)(F)F)C
| 3
|
[CH3:1][C:2]1([OH:12])[CH:9]2[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:11][CH:3]1[CH2:4]3)[CH2:8]2.C(N(CC)CC)C.[C:20](Cl)(=[O:23])[CH:21]=[CH2:22]>C1COCC1>[C:20]([O:12][C:2]1([CH3:1])[CH:3]2[CH2:11][CH:7]3[CH2:6][CH:5]([CH2:10][CH:9]1[CH2:8]3)[CH2:4]2)(=[O:23])[CH:21]=[CH2:22]
| 1
|
[Cl:1][C:2]1[CH:3]=[C:4]([C@:9]([O:16]C(=O)CCC)([C:12]([F:15])([F:14])[F:13])[C:10]#[CH:11])[CH:5]=[C:6]([Cl:8])[CH:7]=1.I[C:23]1[CH:24]=[CH:25][C:26]([N:31]2[CH:35]=[N:34][CH:33]=[N:32]2)=[C:27]([CH:30]=1)[C:28]#[N:29].C(N(CC)CC)C>CN(C)C=O.C(OCC)(=O)C.ClCCl>[Cl:8][C:6]1[CH:5]=[C:4]([C@:9]([OH:16])([C:12]([F:13])([F:14])[F:15])[C:10]#[C:11][C:23]2[CH:24]=[CH:25][C:26]([N:31]3[CH:35]=[N:34][CH:33]=[N:32]3)=[C:27]([CH:30]=2)[C:28]#[N:29])[CH:3]=[C:2]([Cl:1])[CH:7]=1
| 2
|
Cl[C:2]1[C:7]([C:8]2[CH:9]=[N:10][N:11]([CH3:13])[CH:12]=2)=[N:6][CH:5]=[CH:4][N:3]=1.O.[OH-].[K+]>CS(C)=O>[CH3:13][N:11]1[CH:12]=[C:8]([C:7]2[CH:2]=[N:3][CH:4]=[CH:5][N:6]=2)[CH:9]=[N:10]1
| 2
|
CS(O[CH2:6][CH2:7][CH2:8][N:9]1[C:13]2[CH:14]=[CH:15][C:16]([Cl:18])=[CH:17][C:12]=2[NH:11][C:10]1=[O:19])(=O)=O.[C:20]1([N:26]2[C:30]3([CH2:35][CH2:34][NH:33][CH2:32][CH2:31]3)[C:29](=[O:36])[NH:28][CH2:27]2)[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1.[Na]>CN(C)C=O>[Cl:18][C:16]1[CH:15]=[CH:14][C:13]2[N:9]([CH2:8][CH2:7][CH2:6][N:33]3[CH2:32][CH2:31][C:30]4([N:26]([C:20]5[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=5)[CH2:27][NH:28][C:29]4=[O:36])[CH2:35][CH2:34]3)[C:10](=[O:19])[NH:11][C:12]=2[CH:17]=1
| 1
|
CI.Cl.NC1=C(C=C(C=C1)O)Cl>>ClC=1C=C(OC)C=CC1N
| 5
|
COC1=C2NC=NC2=NC=N1>CC#N>COC1=C2N(C=NC2=NC=N1)CCC=O
| 3
|
O.[OH-].[Li+].[CH:4]1([C:9]2[S:10][CH:11]=[C:12]([C:14]([O:16]CC)=[O:15])[N:13]=2)[CH2:8][CH2:7][CH2:6][CH2:5]1.O.Cl>C1COCC1>[CH:4]1([C:9]2[S:10][CH:11]=[C:12]([C:14]([OH:16])=[O:15])[N:13]=2)[CH2:5][CH2:6][CH2:7][CH2:8]1
| 1
|
C([O:8][C:9]1[C:10](=[O:32])[N:11]([CH3:31])[C:12]([O:28][CH2:29][CH3:30])=[N:13][C:14]=1[C:15]1[O:19][N:18]=[C:17]([CH2:20][C:21]2[CH:26]=[CH:25][C:24]([F:27])=[CH:23][CH:22]=2)[N:16]=1)C1C=CC=CC=1>C(O)(C(F)(F)F)=O>[CH2:29]([O:28][C:12]1[N:11]([CH3:31])[C:10](=[O:32])[C:9]([OH:8])=[C:14]([C:15]2[O:19][N:18]=[C:17]([CH2:20][C:21]3[CH:22]=[CH:23][C:24]([F:27])=[CH:25][CH:26]=3)[N:16]=2)[N:13]=1)[CH3:30]
| 1
|
CI.NC1=C(N=C(N1CC(C)O)CCCC)C#N>C(Cl)(Cl)(Cl)[H].N(=O)OCCC(C)C>C(CCC)C=1N(C(=C(N1)C#N)I)CC(C)O
| 3
|
COC(C1=C(C=CC=C1)CN1N(C=2[C@@]3(CC[C@H](C2C1=O)C3(C)C)C)C)=O>>CN1N(C(C=2[C@H]3CC[C@@](C12)(C3(C)C)C)=O)CC3=C(C(=O)O)C=CC=C3
| 5
|
S(=O)(=O)(OC)OC.O=S1(CC(CC1)N1N=C(C=C1NC(C1=C(C(=CC=C1)C(F)(F)F)F)=O)C)=O>C1(=CC=CC=C1)C>CN1N(C(C=C1C)=NC(C1=C(C(=CC=C1)C(F)(F)F)F)=O)C1CS(CC1)(=O)=O
| 3
|
ClC=1C=C(C=CC1OC(C)C)NC(=O)C1=NOC(=C1)C1=CC=C(C=C1)OC[C@@H]1OC(OC1)(C)C>CO[H].O.C1(=CC=C(C=C1)S(=O)(=O)O)C>ClC=1C=C(C=CC1OC(C)C)NC(=O)C1=NOC(=C1)C1=CC=C(C=C1)OC[C@@H](CO)O
| 3
|
[CH3:1][O:2][C:3]1[C:4]([NH2:9])=[CH:5][CH:6]=[CH:7][CH:8]=1.[CH3:10][O:11][CH2:12][C:13](=O)[CH2:14][C:15]([O:17][CH3:18])=[O:16].C(O)(=O)C.S([O-])([O-])(=O)=O.[Ca+2]>C(O)C>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[NH:9][C:13]([CH2:12][O:11][CH3:10])=[CH:14][C:15]([O:17][CH3:18])=[O:16]
| 1
|
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]([F:11])([F:10])[F:9])=[CH:4][CH:3]=1.C([Li])CCC.[CH2:17]([N:24]1[CH2:29][CH2:28][C:27](=[O:30])[CH2:26][CH2:25]1)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1>C1COCC1.C(OCC)(=O)C>[CH2:17]([N:24]1[CH2:29][CH2:28][C:27]([C:2]2[CH:7]=[CH:6][C:5]([C:8]([F:11])([F:10])[F:9])=[CH:4][CH:3]=2)([OH:30])[CH2:26][CH2:25]1)[C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=1
| 1
|
C[Si](C)(C)C=[N+]=[N-].BrC1=CC(=C(C(=O)O)C(=C1)F)F>CO[H].ClCCl>COC(C1=C(C=C(C=C1F)Br)F)=O
| 3
|
[CH3:1][C:2]1[CH:7]=[C:6]([C:8]2[N:12]=[C:11]([C:13]3[C:21]4[CH2:20][CH2:19][C:18]([CH3:23])([CH3:22])[CH2:17][C:16]=4[N:15]([CH3:24])[N:14]=3)[O:10][N:9]=2)[CH:5]=[C:4]([CH3:25])[C:3]=1[CH2:26][CH:27]([OH:30])[CH2:28]O.C1COCC1.CS(Cl)(=O)=O.[NH3:41].CO>Cl.O1CCOCC1>[NH2:41][CH2:28][CH:27]([OH:30])[CH2:26][C:3]1[C:2]([CH3:1])=[CH:7][C:6]([C:8]2[N:12]=[C:11]([C:13]3[C:21]4[CH2:20][CH2:19][C:18]([CH3:23])([CH3:22])[CH2:17][C:16]=4[N:15]([CH3:24])[N:14]=3)[O:10][N:9]=2)=[CH:5][C:4]=1[CH3:25]
| 2
|
[C:1]([NH:20][CH:21]1[CH2:26][CH2:25][CH2:24][NH:23][C:22]1=O)([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[H-].[H-].[H-].[Li+].[Al+3].O.[OH-].[Na+]>O1CCCC1>[NH:23]1[CH2:24][CH2:25][CH2:26][CH:21]([NH:20][C:1]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)([C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=2)[C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH2:22]1
| 1
|
[N+:1]([C:4]([N+:13]([O-:15])=[O:14])([N+:10]([O-:12])=[O:11])[CH2:5][CH2:6][C:7](Cl)=[O:8])([O-:3])=[O:2].[N:16]([CH2:19][CH:20]([OH:25])[CH2:21][N:22]=[N+:23]=[N-:24])=[N+:17]=[N-:18]>C(Cl)CCl>[N+:1]([C:4]([N+:13]([O-:15])=[O:14])([N+:10]([O-:12])=[O:11])[CH2:5][CH2:6][C:7]([O:25][CH:20]([CH2:21][N:22]=[N+:23]=[N-:24])[CH2:19][N:16]=[N+:17]=[N-:18])=[O:8])([O-:3])=[O:2]
| 1
|
[F:1][C:2]1[C:7]2[N:8]=[C:9]([CH3:11])[O:10][C:6]=2[C:5]2[NH:12][C:13](=[O:23])[N:14]([C:15]3[CH:20]=[CH:19][C:18]([I:21])=[CH:17][C:16]=3[F:22])[C:4]=2[C:3]=1[F:24].[CH:25]1([S:28](Cl)(=[O:30])=[O:29])[CH2:27][CH2:26]1>CN(C1C=CN=CC=1)C>[CH:25]1([S:28]([N:12]2[C:5]3[C:6]4[O:10][C:9]([CH3:11])=[N:8][C:7]=4[C:2]([F:1])=[C:3]([F:24])[C:4]=3[N:14]([C:15]3[CH:20]=[CH:19][C:18]([I:21])=[CH:17][C:16]=3[F:22])[C:13]2=[O:23])(=[O:30])=[O:29])[CH2:27][CH2:26]1
| 1
|
C1(CC1)C1=CC=C(C=C1)C(=O)C1=C(C=NC=C1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](C1)COCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1>O.C1CCCO1.[Na+].[BH4-]>C1(CC1)C1=CC=C(C=C1)C(O)C1=C(C=NC=C1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](C1)COCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1
| 3
|
ClC1=C(C2=C(CCN(CC2)C(C(F)(F)F)=O)C=C1)OS(=O)(=O)C(F)(F)F.NCC1=CC(=C(C(=O)N[C@@H](C(F)(F)F)C)C=C1)F>C1(=CC=CC=C1)C.[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.C(=O)([O-])[O-].[Cs+].[Cs+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>ClC1=C(C2=C(CCN(CC2)C(C(F)(F)F)=O)C=C1)NCC1=CC(=C(C=C1)C(N[C@@H](C(F)(F)F)C)=O)F
| 3
|
[C:1]([NH:8][C@H:9]([C:19]([NH:21][C@H:22]([C:32]([O:34]C)=[O:33])[CH2:23][CH2:24][C:25](=[O:31])[O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:20])[CH2:10][CH2:11][C:12](=[O:18])[O:13][C:14]([CH3:17])([CH3:16])[CH3:15])([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].O[Li].O>C1COCC1.O>[C:1]([NH:8][C@H:9]([C:19]([NH:21][C@H:22]([C:32]([OH:34])=[O:33])[CH2:23][CH2:24][C:25](=[O:31])[O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:20])[CH2:10][CH2:11][C:12](=[O:18])[O:13][C:14]([CH3:17])([CH3:16])[CH3:15])([O:3][C:4]([CH3:6])([CH3:5])[CH3:7])=[O:2]
| 2
|
ClC1=CC=C(C=C1)C=1C=C(C(N(N1)C1=CSC(=C1)Cl)=O)C(=O)OC>CC#N.O.[OH-].[Li+]>ClC1=CC=C(C=C1)C=1C=C(C(N(N1)C1=CSC(=C1)Cl)=O)C(=O)O
| 3
|
C(C)OC(OCC)OCC.NC=1C=NC2=CC=CC=C2C1NCCCCCC(=O)OCC>C1(=CC=CC=C1)C.C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>N1(C=NC=2C=NC=3C=CC=CC3C21)CCCCCC(=O)OCC
| 3
|
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