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ReactionSmiles

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1
smiles
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15
6.12k
source_id
int64
1
5
[CH3:1][C:2]([CH3:39])([CH3:38])[C:3](=O)[CH2:4][N:5]1[C:10](=[O:11])[C:9]2[CH:12]=[C:13]([CH2:15][CH3:16])[S:14][C:8]=2[N:7]([CH2:17][C:18]2[CH:23]=[CH:22][C:21]([C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=3[C:30]3[NH:34][C:33](=[O:35])[O:32][N:31]=3)=[CH:20][CH:19]=2)[C:6]1=[O:36].Cl.[NH2:41][O:42][CH3:43].N1C=CC=CC=...
1
N1=C(C=CC=C1)[Mg]Br.ClC1=C(C(=NC2=CC=C(C=C12)C(=O)C1=CN=CN1C)OC)CC1=CC=C(C=C1)S(=O)(=O)C>C1CCCO1>ClC1=C(C(=NC2=CC=C(C=C12)C(O)(C1=NC=CC=C1)C1=CN=CN1C)OC)CC1=CC=C(C=C1)S(=O)(=O)C
3
[CH3:1][C:2]1[N:3]=[CH:4][N:5]([C:7]2[S:8][CH:9]=[C:10]([C:12]([O:14]CC)=O)[N:11]=2)[CH:6]=1.NC1SC=C(C(OCC)=O)N=1.[H-].[Na+].N(C(C)C(OC)OC)=C=S.OS(O)(=O)=O.OO.[C:47]([O:50][C:51]([CH3:54])([CH3:53])[CH3:52])(=[O:49])[CH3:48].[Li]>CC(O)=O.CCO.CN(C=O)C>[C:51]([O:50][C:47](=[O:49])[CH2:48][C:12]([C:10]1[N:11]=[C:7]([N:5]2...
1
[H-].[Al+3].[Li+].[H-].[H-].[H-].[CH3:7][C:8]1[C:16]([CH3:17])=[C:15]([CH3:18])[C:14]([CH3:19])=[C:13]2[C:9]=1[CH2:10][CH:11]([NH:20][C:21](=O)[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)[CH2:12]2>O1CCCC1>[CH2:21]([NH:20][CH:11]1[CH2:12][C:13]2[C:9](=[C:8]([CH3:7])[C:16]([CH3:17])=[C:15]([CH3:18])[C:14]=2[CH3:19])[C...
1
[N:1]1([CH2:7][C:8]2[CH:13]=[CH:12][N:11]=[C:10]([O:14][CH2:15][CH2:16][CH2:17]N)[CH:9]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.I.CS[C:22]1[NH:23][CH2:24][C:25](=[O:27])[N:26]=1.C(N(CC)CC)C>C(O)C>[N:1]1([CH2:7][C:8]2[CH:13]=[CH:12][N:11]=[C:10]([O:14][CH2:15][CH2:16][CH2:17][C:22]3[NH:23][CH2:24][C:25](=[O:27])[N:26]=3)...
1
C(CC)S.ClC1=NC2=CC(=CC=C2C(=C1C(=O)NCC1=CC(=CC=C1)F)C)C(F)(F)F>>FC=1C=C(C=CC1)CNC(=O)C=1C(=NC2=CC(=CC=C2C1C)C(F)(F)F)SCCC
5
NC=1C(=NC(=C(N1)N)Cl)C(=O)NC(=N)SC.N[C@H](CCCC1=CC=C(C=C1)O)CN>>OC1=CC=C(C=C1)CCC[C@H]1N\C(\NC1)=N\C(=O)C1=NC(=C(N=C1N)N)Cl
5
[ClH:1].O1CCOCC1.[CH3:8][O:9][C:10]1[CH:30]=[CH:29][C:13]([C:14]([O:16][CH2:17][C:18]([NH:21]C(OC(C)(C)C)=O)([CH3:20])[CH3:19])=[O:15])=[CH:12][CH:11]=1>C(Cl)Cl>[ClH:1].[CH3:8][O:9][C:10]1[CH:11]=[CH:12][C:13]([C:14]([O:16][CH2:17][C:18]([NH2:21])([CH3:20])[CH3:19])=[O:15])=[CH:29][CH:30]=1
1
ClC1=C(C#N)C=CC(=C1C=O)F>>ClC1=C(C#N)C=CC(=C1CO)F
5
[CH2:1]([N:3]1[C@@H:11]2[C:6]3=[C:7]([CH:20]=[C:21]([CH3:23])[CH:22]=[C:5]3[C@H:4]1[CH2:24][CH2:25][CH3:26])[C:8]1[C:15]([O:16][CH3:17])=[C:14]([O:18][CH3:19])[CH:13]=[CH:12][C:9]=1[CH2:10]2)[CH3:2].CCOCC>CC(C)=O>[CH2:1]([N:3]1[C@H:11]2[C:6]3=[C:7]([CH:20]=[C:21]([CH3:23])[CH:22]=[C:5]3[C@@H:4]1[CH2:24][CH2:25][CH3:26]...
1
ClC1=CC(=NC(=N1)OC)N1CCOCC1.CC=1C=C2C=NNC2=CC1N1CCN(CC1)C>C(=O)([O-])[O-].[Cs+].[Cs+]>COC1=NC(=CC(=N1)N1CCOCC1)N1N=CC2=CC(=C(C=C12)N1CCN(CC1)C)C
3
[Br:1][C:2]1[CH:3]=[C:4]2[CH2:10][CH2:9][NH:8][C:5]2=[N:6][CH:7]=1.ClC(Cl)(Cl)[C:13]([N:15]=C=O)=[O:14].[OH-].[K+]>C(Cl)Cl>[Br:1][C:2]1[CH:3]=[C:4]2[CH2:10][CH2:9][N:8]([C:13]([NH2:15])=[O:14])[C:5]2=[N:6][CH:7]=1
1
[Cl:1][C:2]1[C:7]([Cl:8])=[C:6]([C:9](=[O:15])[CH2:10][CH2:11][CH2:12][CH2:13][Cl:14])[CH:5]=[CH:4][C:3]=1[O:16][CH3:17].[CH3:18][N:19]([CH2:21]N(C)C)[CH3:20].C(OC(=O)C)(=O)C.[OH-].[Na+]>>[CH3:18][N:19]([CH2:21][CH:10]([CH2:11][CH2:12][CH2:13][Cl:14])[C:9]([C:6]1[CH:5]=[CH:4][C:3]([O:16][CH3:17])=[C:2]([Cl:1])[C:7]=1[C...
1
BrC=1CCCC2=C(C1C1=CC=C(C=C1)O[C@@H]1CN(CC1)CCCF)C=CC(=C2F)OC(C(C)(C)C)=O>CO[H].Cl.[OH-].[Na+].[Cl-].[NH4+]>BrC=1CCCC2=C(C1C1=CC=C(C=C1)O[C@@H]1CN(CC1)CCCF)C=CC(=C2F)O
3
BrC1=CC=C(C=C1)C1=CC=C(C=C1)CC(=O)N(C)OC>>BrC1=CC=C(C=C1)C1=CC=C(C=C1)CC(C)=O
5
OC1=CC=NC=C1.FC1=CC=C(C(=O)C(CC(=O)O)C)C=C1>O.[OH-].[Na+]>O=C1C=CN(C=C1)C1=CC=C(C(=O)C(CC(=O)O)C)C=C1
3
NC1(CN(CC1)C(=O)OCC1=CC=CC=C1)C1=CC=C(C=C1)Cl.COC=1C=C(C=CC1OC)CNS(=O)C1=CC=C(C=C1)OC(F)(F)F>C1CCCO1.C1(=CC=NC=C1)N(C)C.C(Cl)(Cl)(Cl)Cl.C(C)(C)N(C(C)C)CC.ClOC(C)(C)C>ClC1=CC=C(C=C1)C1(CN(CC1)C(=O)OCC1=CC=CC=C1)NS(=O)(=NCC1=CC(=C(C=C1)OC)OC)C1=CC=C(C=C1)OC(F)(F)F
3
[O:1]=[C:2]1[CH2:7][N:6]([C:8]([N:10]2[CH2:14][CH2:13][C:12]3([CH2:19][CH2:18][N:17]([C:20]4[CH:25]=[CH:24][N:23]=[CH:22][CH:21]=4)[CH2:16][CH2:15]3)[CH2:11]2)=[O:9])[CH2:5][CH2:4][N:3]1[CH2:26][CH2:27][C:28]([O:30]CC)=[O:29].[OH-].[Na+]>O1CCOCC1>[O:1]=[C:2]1[CH2:7][N:6]([C:8]([N:10]2[CH2:14][CH2:13][C:12]3([CH2:19][CH...
2
CI>N(C)(C)C=O.[H-].[Na+].OC=1C=CC=C2C=CC=NC12>COC=1C=CC=C2C=CC=NC12
3
BrCCCCC1(CC1)C(=O)OC(C)(C)C.C(C)(C)(C)OC(=O)C1(CC1)CCCCC(CCCCC1(CC1)C(=O)OC(C)(C)C)=O>>C(C)(C)(C)OC(=O)C1(CC1)CCCCC(CCCCC1(CC1)C(=O)OC(C)(C)C)(S(=O)(=O)C1=CC=C(C=C1)C)[N+]#[C-]
5
[F:1][C:2]1[C:7]([F:8])=[C:6]([F:9])[CH:5]=[CH:4][C:3]=1[NH:10][C:11](=[S:21])[S:12][CH2:13][C:14](=O)[CH2:15][O:16]C(=O)C.Cl.S(=O)(=O)(O)O>C(O)C>[OH:16][CH2:15][C:14]1[N:10]([C:3]2[CH:4]=[CH:5][C:6]([F:9])=[C:7]([F:8])[C:2]=2[F:1])[C:11](=[S:21])[S:12][CH:13]=1
1
OCCNC(OC(C)(C)C)=O.C(C1=CC=CC=C1)OC(=O)NCCCCC1=CC=C(OCC(=O)O)C=C1>>C(C)(C)(C)OC(=O)NCCOC(COC1=CC=C(C=C1)CCCCNC(=O)OCC1=CC=CC=C1)=O
5
[CH3:1][C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[CH:7][C:8]=2[N:12]2[CH2:17][CH2:16][N:15]([CH2:18][CH2:19][C:20]3[CH:21]=[C:22]([CH:24]=[CH:25][CH:26]=3)[NH2:23])[CH2:14][CH2:13]2)[N:3]=1.[CH:27]1[CH:32]=[CH:31][C:30]([O:33][C:34]([Cl:36])=[O:35])=[CH:29][CH:28]=1>>[ClH:36].[ClH:36].[CH3:1][C:2]1[CH:11]=[CH:10][...
1
Cl(=O)(=O)(=O)[O-].COC1=CC=CC=2C1=CC=1C=CC=C[N+]1C2C>O.Br>Cl(=O)(=O)(=O)[O-].OC1=CC=CC=2C1=CC=1C=CC=C[N+]1C2C
3
[C:1]1([C@H:11]([NH:13][CH2:14][C@@H:15]2[C@@H:19]([C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)[CH2:18][N:17]([C:26]([C:28]3[CH:40]=[CH:39][C:31]([O:32][CH2:33][C:34]([O:36]CC)=[O:35])=[CH:30][CH:29]=3)=[O:27])[CH2:16]2)[CH3:12])[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.[OH-].[Li+].[ClH:43]>C1C...
1
[CH3:1][N:2]1[C:6]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)=[N:5][N:4]=[C:3]1[CH:13]=O.[N:15]1[C:24]2[CH:23]([NH:25][CH2:26][CH2:27][CH2:28][CH2:29][NH:30][C:31](=[O:37])[O:32][C:33]([CH3:36])([CH3:35])[CH3:34])[CH2:22][CH2:21][CH2:20][C:19]=2[CH:18]=[CH:17][CH:16]=1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C([O-])(O)=...
1
[Cl:1][C:2]1[N:7]=[C:6]([N:8]2[CH2:13][CH2:12][CH:11]([C:14]([O:16][CH3:17])=[O:15])[CH2:10][CH2:9]2)[CH:5]=[CH:4][C:3]=1[I:18].[Cl:19]N1C(=O)CCC1=O>CC#N>[Cl:19][C:5]1[C:6]([N:8]2[CH2:13][CH2:12][CH:11]([C:14]([O:16][CH3:17])=[O:15])[CH2:10][CH2:9]2)=[N:7][C:2]([Cl:1])=[C:3]([I:18])[CH:4]=1
2
N#CBr.N1C=CC2=CC=CN=C12>>N1(C=CC=2C1=NC=CC2)C#N
5
C1(=CC=CC=C1)[C@H](C)N>>ClC1=NC(=NC(=N1)Cl)N[C@@H](C)C1=CC=CC=C1
5
[C:1]1([N:7]2[C:16]3[C:11](=[CH:12][CH:13]=[CH:14][N:15]=3)[C:10]([O:17]C(=O)CC3C=CC=CC=3)=[CH:9][C:8]2=[O:27])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C(N(CC)CC)C.[C-]#N.[K+].C1[O:55][CH2:54][CH2:53]OCCOCCOCCOCCOC1.C(=O)([O-])O.[Na+].[C:61]1(C)[CH:66]=[CH:65][CH:64]=[CH:63][CH:62]=1>ClCCl>[OH:17][C:10]1[C:11]2[C:16](=[N:15]...
1
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]([OH:10])=[O:9])=[N:6][CH:7]=1.O=S(Cl)Cl.[CH2:15](O)[CH3:16]>>[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]([O:10][CH2:15][CH3:16])=[O:9])=[N:6][CH:7]=1
1
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC=1C(=NC(=NC1)C(=O)N)OCC1=CC=C(C=C1)OC>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>OCC=1C(=NC(=NC1)C(=O)N)OCC1=CC=C(C=C1)OC
3
N([O-])=O.[Na+].[NH2:5][C:6]1[CH:11]=[C:10]([F:12])[C:9]([N:13]2[CH2:18][CH2:17][C:16](=[O:19])[CH2:15][CH2:14]2)=[C:8]([F:20])[CH:7]=1.[N-:21]=[N+:22]=[N-].[Na+].C([O-])(=O)C.[Na+]>Cl>[N:5]([C:6]1[CH:11]=[C:10]([F:12])[C:9]([N:13]2[CH2:14][CH2:15][C:16](=[O:19])[CH2:17][CH2:18]2)=[C:8]([F:20])[CH:7]=1)=[N+:21]=[N-:22]
1
[CH:1]([C:4]1[CH:5]=[C:6]([C@@H:10]([NH:12][C:13]([C:15]2[CH:39]=[CH:38][C:18]3[N:19]([CH2:22][C:23]4[CH:28]=[CH:27][C:26](B5OC(C)(C)C(C)(C)O5)=[CH:25][CH:24]=4)[CH:20]=[N:21][C:17]=3[CH:16]=2)=[O:14])[CH3:11])[CH:7]=[CH:8][CH:9]=1)([CH3:3])[CH3:2].Br[C:41]1[C:42]([C:47]([O:49][CH3:50])=[O:48])=[N:43][CH:44]=[CH:45][CH...
1
[CH2:1]([C:3]1([CH2:17][CH3:18])[C:12]2[C:7](=[CH:8][CH:9]=[C:10]([O:13][CH3:14])[CH:11]=2)[CH2:6][CH2:5][C:4]1=[N:15]O)[CH3:2].C(NCC)C.[H-].[H-].[H-].[H-].[Li+].[Al+3]>C1COCC1>[CH2:1]([C:3]1([CH2:17][CH3:18])[C:12]2[C:7](=[CH:8][CH:9]=[C:10]([O:13][CH3:14])[CH:11]=2)[CH2:6][CH:5]2[NH:15][CH:4]12)[CH3:2]
1
COC1=CC=C(CN(C=2C(=C(C(=C(C2)C2=C(C=3N=C(N=C4C3C(=N2)OCCN4[C@H](C)C=4C(=NC=CC4)NC(OC(C)(C)C)=O)OC[C@]42CCCN2C[C@@H](C4)F)F)C(F)(F)F)C)F)CC4=CC=C(C=C4)OC)C=C1>C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+].FC(S(=O)(=O)O)(F)F>NC=1C(=C(C(=C(C1)C1=C(C=2N=C(N=C3C2C(=N1)OCCN3[C@H](C)C=3C(=NC=CC3)N)OC[C@]31CCCN1C[C@@H](C3)F)F)C(F)(F)F)C...
3
[CH3:1][N:2]([CH3:31])[C:3](=[O:30])[CH2:4][N:5]1[C:14]2[C:9](=[N:10][CH:11]=[C:12]([CH2:15][C:16]3[CH:21]=[CH:20][C:19]([F:22])=[CH:18][CH:17]=3)[CH:13]=2)[C:8]([OH:23])=[C:7]([C:24](OCC)=[O:25])[C:6]1=[O:29].[NH2:32][C:33]([CH3:37])([CH3:36])[CH2:34][OH:35]>>[CH3:1][N:2]([CH3:31])[C:3](=[O:30])[CH2:4][N:5]1[C:14]2[C:...
1
NC1=CC=C2C=CNC2=C1.BrC1=CC=C(C=C1)N=C=O>C1CCCO1.CCN(CC)CC>BrC1=CC=C(C=C1)NC(=O)NC1=CC=C2C=CNC2=C1
3
[O-]CCC.[Na+].NC1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(F)(F)F>Cl.C(C)(C)O>NC1=NC(=NC(=N1)OCCC)C(F)(F)F
3
OC(C(=O)O[C@@H]1CC[C@H](CC1)N(C)CCCC(=O)NC1=C(C=C(C(=C1)OC)CO[Si](C)(C)C(C)(C)C)Cl)(C=1SC=CC1)C=1SC=CC1>C1CCCO1.F.F.F.C(C)N(CC)CC>OC(C(=O)O[C@@H]1CC[C@H](CC1)N(C)CCCC(=O)NC1=C(C=C(C(=C1)OC)CO)Cl)(C=1SC=CC1)C=1SC=CC1
3
[OH:1][NH:2][C:3](=[NH:14])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([S:10](=[O:13])(=[O:12])[NH2:11])[CH:5]=1.[F:15][CH:16]([F:36])[C:17]1[N:22]=[C:21]([C:23](O)=O)[N:20]=[C:19]([C:26]2[CH:31]=[CH:30][C:29]([C:32]([F:35])([F:34])[F:33])=[CH:28][CH:27]=2)[CH:18]=1>>[F:36][CH:16]([F:15])[C:17]1[CH:18]=[C:19]([C:26]2[CH:27]=[CH:28...
1
[NH2:1][C:2]1[C:3](Cl)=[N:4][C:5]([C:8]([F:11])([F:10])[F:9])=[CH:6][CH:7]=1.[CH3:13][O:14][C:15]1[CH:22]=[CH:21][C:18]([CH2:19][NH2:20])=[CH:17][CH:16]=1.C(=O)(O)[O-].[Na+]>C(O)CC(C)C.CO>[CH3:13][O:14][C:15]1[CH:22]=[CH:21][C:18]([CH2:19][NH:20][C:3]2[C:2]([NH2:1])=[CH:7][CH:6]=[C:5]([C:8]([F:11])([F:10])[F:9])[N:4]=2...
1
C([O:4][CH2:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]([C:17]2[N:29]([CH3:30])[C:28]3[C:27]4[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=4[N:21]([CH2:31][C:32]4[CH:37]=[CH:36][CH:35]=[C:34]([CH3:38])[N:33]=4)[C:20](=[O:39])[C:19]=3[C:18]=2[O:40][CH3:41])=[O:16])[CH2:10][CH2:9]1)=[O:7])(=O)C.C(=O)([O-])[O-].[K+].[K+].C...
1
[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[NH:3][CH2:2]1.NC1C=CC=CC=1S.C=O.[Cl:20][C:21]1[CH:22]=[C:23]([CH:27]=[C:28]([F:32])[C:29]=1[O:30][CH3:31])[C:24](Cl)=[O:25]>C(Cl)(Cl)Cl.C(N(CC)CC)C>[Cl:20][C:21]1[CH:22]=[C:23]([CH:27]=[C:28]([F:32])[C:29]=1[O:30][CH3:31])[C:24]([N:3]1[C:4]2[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=2...
1
Cl[C:2]1[CH:7]=[C:6]([NH:8][C:9]2[CH:13]=[C:12]([CH3:14])[NH:11][N:10]=2)[N:5]2[CH:15]=[CH:16][N:17]=[C:4]2[N:3]=1.[SH:18][C:19]1[CH:24]=[CH:23][C:22]([NH:25][C:26]([CH:28]2[CH2:30][CH2:29]2)=[O:27])=[CH:21][CH:20]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C>[CH3:14][C:12]1[NH:11][N:10]=[C:9]([NH:8][C:6]2[N:5]3[CH:15]=[CH:16]...
1
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]=[CH:2]1.[CH2:10]([N:12](CC)[CH2:13]C)C.[C:17](Cl)(=[O:20])[CH:18]=[CH2:19].[CH2:22](Cl)Cl>>[CH3:10][N:12]([CH2:13][C:2]1[N:1]([CH3:22])[C:9]2[C:4]([CH:3]=1)=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:17](=[O:20])[CH:18]=[CH2:19]
1
F[C:2](F)(F)[C:3]([OH:5])=O.[CH2:8]([O:12][C:13]1[NH:14][C:15]([NH2:24])=[C:16]2[C:20]([N:21]=1)=[N:19][C:18]([O:22][CH3:23])=[N:17]2)[CH2:9][CH2:10][CH3:11].C([O-])([O-])=O.[K+].[K+].Br[CH2:32][CH2:33]CBr.Cl.O1[CH2:41][CH2:40][C@H:39]([NH2:42])C1.[OH-].[Na+].C(N(CC)CC)C>CN(C=O)C.O.C(Cl)Cl>[CH2:8]([O:12][C:13]1[N:21]=[...
1
[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9]2[CH:18]=[C:17]3[C:12]([C:13]([OH:25])=[C:14]([C:20](OCC)=[O:21])[C:15](=[O:19])[NH:16]3)=[N:11][CH:10]=2)=[CH:4][CH:3]=1.[CH2:26]([O:29][CH2:30][CH2:31][NH2:32])[CH2:27][CH3:28]>>[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9]2[CH:18]=[C:17]3[C:12]([C:13]([OH:25])=[C:14]([C:20]([NH...
2
C(C)(=O)CC=1C(=C(C=CC1[N+](=O)[O-])OC)F>CC(=O)C.Cl[Ti](Cl)Cl.C(C)(=O)[O-].[NH4+]>FC1=C2C=C(NC2=CC=C1OC)C
3
[Cl:1][C:2]1[CH:11]=[C:10]([Cl:12])[CH:9]=[C:8]2[C:3]=1[C@@H:4]([NH:17][C:18]([CH2:20][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)=[O:19])[C:5](=C=O)[C@H:6](OC)[NH:7]2.[OH-:27].[Li+].[O:29]1[CH2:33]CCC1>O>[C:33]([C@H:6]1[CH2:5][C@H:4]([NH:17][C:18]([CH2:20][C:21]2[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=2)=[O:19])[C:3]...
1
[OH:1][CH:2]([CH:9]([O:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=1[CH3:23])[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[C:3]([NH:5][CH:6]([CH3:8])[CH3:7])=O.B.O1CCCC1.[ClH:30]>>[ClH:30].[CH3:8][CH:6]([NH:5][CH2:3][CH:2]([OH:1])[CH:9]([O:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=1[CH3:23])[C:10]1[CH:15]=[CH...
1
[I:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][CH:10]=1)[C:5]([OH:7])=O.CCN=C=NCCCN(C)C.C(N(CC)CC)C.[NH2:29][CH:30]([CH2:32][OH:33])[CH3:31]>ClCCl>[OH:33][CH2:32][CH:30]([NH:29][C:5](=[O:7])[C:4]1[CH:8]=[CH:9][CH:10]=[C:2]([I:1])[CH:3]=1)[CH3:31]
1
C(C)(C)C1=C(C=CC=C1)C1=CC2=C(N(C(N(C2=O)CCC(=O)OC)=O)C)C=N1>>OCCCN1C(N(C2=C(C1=O)C=C(N=C2)C2=C(C=CC=C2)C(C)C)C)=O
5
C(C)(=O)C1=C(CN2C(NC(C3=C2C=CN3)=O)=S)C=CC(=C1)Cl>>NC(C)C1=C(CN2C(NC(C3=C2C=CN3)=O)=S)C=CC(=C1)Cl
5
CC1CCN(CC1)C(=O)Cl.FC1=C2C(=NNC2=CC=C1)O>>CC1CCN(CC1)C(=O)OC1=NNC2=CC=CC(=C12)F
5
[Cl:1][C:2]1[C:3](Cl)=[N:4][CH:5]=[C:6]([CH:12]=1)[C:7]([O:9][CH2:10][CH3:11])=[O:8].[CH3:14][N:15](C=O)C>[C-]#N.[Zn+2].[C-]#N>[Cl:1][C:2]1[C:3]([C:14]#[N:15])=[N:4][CH:5]=[C:6]([CH:12]=1)[C:7]([O:9][CH2:10][CH3:11])=[O:8]
1
Cl.FC1CCNCC1.BrC1=NC=2N(C=C1)C1=C(N2)C=CC=C1>>FC1CCN(CC1)C1=NC=2N(C=C1)C1=C(N2)C=CC=C1
5
COC1=C(CN)C=CC(=C1)OC.BrC1=CN=C(C(=C1C(=O)OCC)C=O)Cl>ClCCl.C(C)(=O)O.C(#N)[BH3-].[Na+]>BrC=1C2=C(C(=NC1)Cl)CN(C2=O)CC2=C(C=C(C=C2)OC)OC
3
FC1=NC=C(C=C1)C#N.C1(=CC=CC=C1)[C@H]1CN(CCN1)C(=O)OC(C)(C)C>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC>C(#N)C=1C=CC(=NC1)N1[C@H](CN(CC1)C(=O)OC(C)(C)C)C1=CC=CC=C1
3
[Cl:1][C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][C:3]=1[NH:12][NH2:13].C(Cl)Cl.[CH3:17][OH:18]>>[CH2:2]([C:3]1[NH:12][C:17](=[O:18])[N:12]([C:3]2[CH:4]=[C:5]([C:6]([O:8][CH3:9])=[O:7])[CH:10]=[CH:11][C:2]=2[Cl:1])[N:13]=1)[CH2:11][CH2:10][CH3:5]
1
ClC1=CC2=C(C(NC3=C(O2)C=CC=C3)=O)C=C1>O.C1CCCO1.O1CCOCC1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>ClC1=CC2=C(CNC3=C(O2)C=CC=C3)C=C1
3
[CH3:1][N:2]([CH3:24])[C:3]1[CH:8]=[C:7]([O:9][C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([C:16]([F:19])([F:18])[F:17])[CH:11]=2)[N:6]=[C:5]([C:20]([NH:22][NH2:23])=[O:21])[CH:4]=1.O.[F:26][C:27]([F:34])([C:30]([F:33])([F:32])[F:31])[CH:28]=O.C1C=CC=CC=1.Cl>C(OCC)(=O)C.O>[F:26][C:27]([F:34])([C:30]([F:33])([F:32])[F:31])[CH:2...
1
C1(CCCC1)N.ClC1=C(C(=NC=2N1N=CC2)C(=O)OCC)CCCl>N(C)(C)C=O>C1(CCCC1)N1CCC=2C(=NC=3N(C21)N=CC3)C(=O)OCC
3
BrCCCOC1=C(C=C(CNC2=NC(=NC(=N2)OCC(F)(F)F)NC2=CC=C(C(=O)OC(C)(C)C)C=C2)C=C1)Cl>C1(=CC=CC=C1)C.ClCCl.C(=O)(C(F)(F)F)O>BrCCCOC1=C(C=C(CNC2=NC(=NC(=N2)OCC(F)(F)F)NC2=CC=C(C(=O)O)C=C2)C=C1)Cl
3
CN1C=C(C(=CC1=O)NC1=C(C(=C(C=C1)Cl)Cl)Cl)C(=O)O.N.O1CCOCC1>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl>CN1C=C(C(=CC1=O)NC1=C(C(=C(C=C1)Cl)Cl)Cl)C(=O)N
3
[F:1][CH2:2][C:3]1[CH:12]=[CH:11][C:10]2[C:5](=[CH:6][CH:7]=[CH:8][C:9]=2[N:13]2[CH2:18][CH2:17][N:16](C(OC(C)(C)C)=O)[CH2:15][CH2:14]2)[N:4]=1>C(O)(C(F)(F)F)=O.C(Cl)Cl>[F:1][CH2:2][C:3]1[CH:12]=[CH:11][C:10]2[C:5](=[CH:6][CH:7]=[CH:8][C:9]=2[N:13]2[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]2)[N:4]=1
2
[C:1]([C:4]1[CH:9]=[CH:8][C:7]([NH:10][S:11]([C:14]2[CH:19]=[CH:18][C:17]([F:20])=[CH:16][CH:15]=2)(=[O:13])=[O:12])=[CH:6][CH:5]=1)(=[O:3])[CH3:2].[CH3:21][O:22][C:23]1[CH:30]=[CH:29][C:26]([CH:27]=O)=[CH:25][CH:24]=1.S(=O)(=O)(O)O>CO>[F:20][C:17]1[CH:18]=[CH:19][C:14]([S:11]([NH:10][C:7]2[CH:6]=[CH:5][C:4]([C:1](=[O:...
2
FC(CCCC)(F)C1=CC=C(C=C1)C1=NOC(=N1)CC(C(=O)OC(C)(C)C)=C>C(=O)O>FC(CCCC)(F)C1=CC=C(C=C1)C1=NOC(=N1)CC(C(=O)O)=C
3
Br[C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Br:8])[C:3]=1[CH3:9].[CH2:10]([N:17]1[CH2:21][CH2:20][NH:19][C:18]1=[O:22])[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1.N[C@@H]1CCCC[C@H]1N.P([O-])([O-])([O-])=O.[K+].[K+].[K+]>O1CCOCC1.[Cu]I>[CH2:10]([N:17]1[CH2:21][CH2:20][N:19]([C:2]2[CH:7]=[CH:6][CH:5]=[C:4]([Br:8])[C:3]=2[CH3:9...
1
COCCBr.FC1=C(C=CC(=C1)C(C)(C)O)C1=CC(=C(S1)NC1=NC(=CC=C1)CO)C(=O)N>>FC1=C(C=CC(=C1)C(C)(C)O)C1=CC(=C(S1)NC1=NC(=CC=C1)COCCOC)C(=O)N
5
N#CN.C(C)(=O)OC1(CCC1)CN1/C(/SC(=C1)C(C)(C)C)=N/C(=S)C1=C(C=CC(=C1)C(F)(F)F)OC>CC#N.CCN(CC)CC.C(C)(=O)[O-].[Hg+2].C(C)(=O)[O-]>C(C)(=O)OC1(CCC1)CN1/C(/SC(=C1)C(C)(C)C)=N/C(C1=C(C=CC(=C1)C(F)(F)F)OC)=NC#N
3
[OH-:1].[Na+].[Br:3][C:4]1[CH:5]=[C:6]2[C:12]([CH3:13])=[N:11][NH:10][C:7]2=[N:8][CH:9]=1.[O-:14][Mn](=O)(=O)=O.[K+]>O>[Br:3][C:4]1[CH:5]=[C:6]2[C:12]([C:13]([OH:14])=[O:1])=[N:11][NH:10][C:7]2=[N:8][CH:9]=1
1
[Cl:1][C:2]1[CH:3]=[C:4](B(O)O)[CH:5]=[CH:6][C:7]=1[Cl:8].I[C:13]1[CH:18]=[CH:17][C:16]([NH:19][C:20]2[CH:28]=[CH:27][CH:26]=[CH:25][C:21]=2[C:22]([OH:24])=[O:23])=[CH:15][CH:14]=1.C([O-])([O-])=O.[K+].[K+].O>O1CCOCC1.CCOC(C)=O>[Cl:1][C:2]1[CH:3]=[C:4]([C:13]2[CH:14]=[CH:15][C:16]([NH:19][C:20]3[CH:28]=[CH:27][CH:26]=[...
2
C[O:2][C:3]([C:5]1[C:13]2[S:12][N:11]=[N:10][C:9]=2[CH:8]=[CH:7][CH:6]=1)=[O:4].[OH-].[Na+].O1CCOCC1.Cl>O>[S:12]1[C:13]2[C:5]([C:3]([OH:4])=[O:2])=[CH:6][CH:7]=[CH:8][C:9]=2[N:10]=[N:11]1
1
C[Si](C)(C)N=C=O.S1C=CC=2C1=NC=C(C2)C=2C=C1CCC3(CCNCC3)OC1=CC2>C(C)(C)N(C(C)C)CC>S1C=CC=2C1=NC=C(C2)C=2C=C1CCC3(CCN(CC3)C(=O)N)OC1=CC2
3
[O:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6]1[CH:36]=[CH:35][C:9]([C:10]([N:12]([CH2:17][C:18]2[CH:34]=[CH:33][CH:32]=[CH:31][C:19]=2[O:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26]([O:28]CC)=[O:27])[CH2:13][CH2:14][O:15][CH3:16])=[O:11])=[CH:8][CH:7]=1.O.[OH-].[Li+]>C1COCC1.O>[O:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6]1[CH:7]=...
2
ClC1=CC(=CC(=C1)CCl)Cl.OC1=C(C(=O)O)C=CC=N1>>ClC=1C=C(CN2C(C(=CC=C2)C(=O)O)=O)C=C(C1)Cl
5
C(C)(=O)OC(C)=O.NC(C1=CC(=NC=C1)N1CCN(CC1)C(CCC(C)(C)C)=O)=NO>>CC(CCC(=O)N1CCN(CC1)C1=NC=CC(=C1)C1=NOC(=N1)C)(C)C
3
[C:1]([OH:6])(=O)C(O)=O.[NH2:7][C@@H:8]1[N:14]=[C:13]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[C:12]2[CH:21]=[CH:22][CH:23]=[CH:24][C:11]=2[N:10]([CH2:25][CH3:26])[C:9]1=[O:27].C(N(CC)CC)C.Cl.[NH:36]1[CH2:41][CH2:40][CH:39]([N:42]2[CH2:51][C:50]3[C:45](=[CH:46][CH:47]=[CH:48][CH:49]=3)[NH:44][C:43]2=[O:52])[CH2:...
1
[CH:1]1([C:4]2[CH:5]=[N:6][C:7]([NH:17][C:18]3[CH:26]=[C:25]4[C:21]([C:22]([C:31]5[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=5)=[CH:23][N:24]4[CH2:27][CH:28]4[CH2:30][CH2:29]4)=[CH:20][CH:19]=3)=[C:8]([CH:16]=2)[C:9]([O:11]CC2CC2)=[O:10])[CH2:3][CH2:2]1.[OH-].[Na+].O.Cl>C(O)C.O1CCCC1>[CH:1]1([C:4]2[CH:5]=[N:6][C:7]([NH:17][...
2
COCCN.S1C(=NC=C1)NC(=O)NC1=CC=C(OC2=CC=NC3=CC=C(C=C23)C(=O)O)C=C1>>COC1=C(C=C2C(=CC=NC2=C1)OC1=CC=C(C=C1)NC(=O)NC=1SC=CN1)C(=O)OCCOC
5
[NH:1]1[CH2:5][CH2:4][CH2:3][CH2:2]1.Br[CH2:7][C:8]1[S:12][C:11]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[N:10][C:9]=1[C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20].C(N(C(C)C)CC)(C)C>C(Cl)Cl>[C:13]1([C:11]2[S:12][C:8]([CH2:7][N:1]3[CH2:5][CH2:4][CH2:3][CH2:2]3)=[C:9]([C:19]([O:21][C:22]([CH3:24])([CH3:...
1
CNC(=O)C1=CC=C(C=C1)C#CC=1C=CC(=C(C(=O)O)C1)OC(F)(F)F.NC(CO)CC1=NNC2=C(C=CC=C12)C(F)(F)F>>OCC(CC1=NNC2=C(C=CC=C12)C(F)(F)F)NC(C1=C(C=CC(=C1)C#CC1=CC=C(C=C1)C(=O)NC)OC(F)(F)F)=O
5
[CH3:1][C:2]1[O:3][C:4]([C:8]([O:10][CH2:11][CH3:12])=[O:9])=[C:5]([CH3:7])[N:6]=1.[Br:13]N1C(=O)CCC1=O.N(C(C)(C)C#N)=NC(C)(C)C#N>C(Cl)(Cl)(Cl)Cl>[Br:13][CH2:7][C:5]1[N:6]=[C:2]([CH3:1])[O:3][C:4]=1[C:8]([O:10][CH2:11][CH3:12])=[O:9]
1
[CH2:1]([O:8][C:9](=[O:16])[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[C:2]1C=CC=CC=1>C(O)C.S(=O)(=O)(O)O.O>[C:10]1([CH2:9][C:15]2[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=2[C:9]([O:8][CH2:1][CH3:2])=[O:16])[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1
2
C1(=CCCC1)C1=C(OC=2N=CN=C(C21)O[C@@H](CCCCC(=O)OC(C)(C)C)C)C2=CC=CC=C2>ClCCl.C(=O)(C(F)(F)F)O>C1(=CCCC1)C1=C(OC=2N=CN=C(C21)O[C@@H](CCCCC(=O)O)C)C2=CC=CC=C2
3
N1C(CNCC1)=O.OC=1C=CC2=C(OCC2=O)C1>C=O.CCO[H]>OC1=C(C2=C(C(CO2)=O)C=C1)CN1CC(NCC1)=O
3
NC1=C(SC(=C1)Br)C(=O)N.C(C)(C)(C)OC(=O)N1[C@@H](C[C@@H]2CCCC[C@H]12)C(=O)O>>BrC1=CC(=C(S1)C(N)=O)NC(=O)[C@H]1N([C@H]2CCCC[C@H]2C1)C(=O)OC(C)(C)C
5
COC(=O)C12CC3C(C(CC(C1)C3)C2)NC(C2=CC(=CC=C2)NS(=O)(=O)C2=C(C=CC=C2)F)=O>O.CO[H].[OH-].[Na+]>FC1=C(C=CC=C1)S(=O)(=O)NC=1C=C(C(=O)NC2C3CC4(CC(CC2C4)C3)C(=O)O)C=CC1
3
[N:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[C:4]([S:11][C:12]2([C:16]([O:18]CC)=[O:17])[CH2:15][CH2:14][CH2:13]2)=[CH:3][CH:2]=1.[OH-].[Na+]>CO.O>[N:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[C:4]([S:11][C:12]2([C:16]([OH:18])=[O:17])[CH2:13][CH2:14][CH2:15]2)=[CH:3][CH:2]=1
2
[NH2:1][CH2:2][C@@H:3]1[O:8][CH2:7][CH2:6][N:5]([CH2:9][CH2:10][N:11]2[C:20]3[C:15](=[N:16][CH:17]=[C:18]([O:21][CH3:22])[CH:19]=3)[CH:14]=[CH:13][C:12]2=[O:23])[CH2:4]1.[O:24]1[C:33]2[CH:32]=[C:31]([CH:34]=O)[N:30]=[CH:29][C:28]=2[O:27][CH2:26][CH2:25]1.S([O-])([O-])(=O)=O.[Na+].[Na+].[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[N...
1
[F:1][C:2]([F:9])([F:8])[C:3]1([CH2:6][OH:7])[CH2:5][CH2:4]1.ClCCl.[CH3:13][C:14]1[CH:19]=[CH:18][C:17]([S:20](Cl)(=[O:22])=[O:21])=[CH:16][CH:15]=1>CN(C)C1C=CN=CC=1.C(OCC)(=O)C>[F:1][C:2]([F:9])([F:8])[C:3]1([CH2:6][O:7][S:20]([C:17]2[CH:18]=[CH:19][C:14]([CH3:13])=[CH:15][CH:16]=2)(=[O:22])=[O:21])[CH2:5][CH2:4]1
2
C(C)(C)(C)OC(=O)N[C@@H](C(=O)OC)CC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C>>OC[C@@H](CC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)NC(OC(C)(C)C)=O
5
CI.BrC1=C(C(=CC=C1)O)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC1=CC(=C(C=C1)OC)OCCCOC
3
[O:1]1[CH:7]2[CH:2]1[C:3]([CH2:16][CH3:17])([CH2:14][CH3:15])[O:4][C:5]1[CH:11]=[CH:10][C:9]([C:12]#[N:13])=[CH:8][C:6]=12.[C:18]([N:20]=[C:21]1[NH:25][CH2:24][CH2:23][S:22]1)#[N:19].O>CN(C)C=O.C(N(CC)CC)C>[C:18]([N:20]=[C:21]1[N:25]([C@@H:7]2[C:6]3[CH:8]=[C:9]([C:12]#[N:13])[CH:10]=[CH:11][C:5]=3[O:4][C:3]([CH2:16][CH...
1
[S:1]([N:11]1[CH2:17][CH:16](O)[CH2:15][N:14]([S:19]([C:22]2[CH:28]=[CH:27][C:25]([CH3:26])=[CH:24][CH:23]=2)(=[O:21])=[O:20])[CH2:13][CH2:12]1)([C:4]1[CH:10]=[CH:9][C:7]([CH3:8])=[CH:6][CH:5]=1)(=[O:3])=[O:2].CCN(S(F)(F)[F:35])CC>C(Cl)Cl>[F:35][CH:16]1[CH2:17][N:11]([S:1]([C:4]2[CH:10]=[CH:9][C:7]([CH3:8])=[CH:6][CH:5...
2
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3
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3
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3
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3