smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][C:11]=1F)[N:8]([C@@H:13]1[CH2:15][C@@H:14]1[F:16])[CH:7]=[C:6]([C:17]([OH:19])=[O:18])[C:5]2=[O:20].[CH:21]1([NH:24][CH2:25][C@@H:26]2[C@H:30]([F:31])[CH2:29][NH:28][CH2:27]2)[CH2:23][CH2:22]1>>[CH:21]1([NH:24][CH2:25][C@@H:26]2[C@H:30]([F:31])[CH2:29][N:28]([C:11]3[CH:10]=[C:9]4[C:4]([C:5](=[O:20])[C:6]([C:17]([OH:19])=[O:18])=[CH:7][N:8]4[C@@H:13]4[CH2:15][C@@H:14]4[F:16])=[CH:3][C:2]=3[F:1])[CH2:27]2)[CH2:23][CH2:22]1 | 1 |
C1(CCCC1)C(=O)Cl.C12NCC(C(C1)C1=CN(C3=NC=C(C(=C31)C)NC(C3=CC(=CC=C3)C#N)=O)C)CC2>>C(#N)C=1C=C(C(=O)NC=2C(=C3C(=NC2)N(C=C3C3C2CN(C(C3)CC2)C(=O)C2CCCC2)C)C)C=CC1 | 5 |
[NH2:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6]([CH2:11][OH:12])=[CH:5]2.N[C:14]1[CH:15]=[C:16]2[C:20](=[CH:21][CH:22]=1)N[C:18]([C:23]([O:25]CC)=O)=[CH:17]2.[H-].[Al+3].[Li+].[H-].[H-].[H-]>>[C:4]([C:22]1[CH:14]=[CH:15][C:16](/[CH:17]=[CH:18]/[C:23]([NH:1][C:2]2[CH:3]=[C:4]3[C:8](=[CH:9][CH:10]=2)[NH:7][C:6]([CH2:11][OH:12])=[CH:5]3)=[O:25])=[CH:20][CH:21]=1)([CH3:8])([CH3:5])[CH3:3] | 1 |
Cl.N1[C@H](CCC1)C#N.ClC=1C=NN(C1)C1=C(C=NC=C1)N1CCC(CC1)C(=O)O>N(C)(C)C=O.O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC=1C=NN(C1)C1=C(C=NC=C1)N1CCC(CC1)C(=O)N1[C@H](CCC1)C#N | 3 |
[CH3:1][O:2][C:3](=[O:14])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([N+:10]([O-])=O)[C:5]=1[OH:13]>[Pd].CO>[CH3:1][O:2][C:3](=[O:14])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([NH2:10])[C:5]=1[OH:13] | 1 |
[C:1]([O:5][C:6](=[O:26])[C:7]([S:10][C:11]1[S:12][CH:13]=[C:14]([CH2:16][CH2:17][O:18][C:19]2[CH:24]=[CH:23][C:22](Br)=[CH:21][CH:20]=2)[N:15]=1)([CH3:9])[CH3:8])([CH3:4])([CH3:3])[CH3:2].[F:27][C:28]1[CH:29]=[C:30](OB(O)O)[CH:31]=[CH:32][CH:33]=1.O>O1CCCC1.C(=O)([O-])O.[Na+].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>[C:1]([O:5][C:6](=[O:26])[C:7]([S:10][C:11]1[S:12][CH:13]=[C:14]([CH2:16][CH2:17][O:18][C:19]2[CH:24]=[CH:23][C:22]([C:32]3[CH:31]=[CH:30][CH:29]=[C:28]([F:27])[CH:33]=3)=[CH:21][CH:20]=2)[N:15]=1)([CH3:9])[CH3:8])([CH3:4])([CH3:3])[CH3:2] | 1 |
C(C)(C)C=1C(C(C=2[C@]3(CCC(C([C@H]3CCC2C1)(C)C)=O)C)=O)=O>>C2(C(=CC1=CC([C@H]3[C@@](C1=C2O)(CCC(C3(C)C)=O)C)=O)C(C)C)=O | 5 |
[F:1][C:2]1[C:3]([C:20]2[CH:21]=[CH:22][C:23]([O:28][CH:29]3[CH2:34][CH2:33][O:32][CH2:31][CH2:30]3)=[C:24]([CH:27]=2)[C:25]#[N:26])=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([S:11]([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)(=[O:13])=[O:12])[CH:6]=[CH:5]2.C([N-]C(C)C)(C)C.[Li+].[I:43]I>CC1CCCO1>[F:1][C:2]1[C:3]([C:20]2[CH:21]=[CH:22][C:23]([O:28][CH:29]3[CH2:34][CH2:33][O:32][CH2:31][CH2:30]3)=[C:24]([CH:27]=2)[C:25]#[N:26])=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([S:11]([C:14]1[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1)(=[O:13])=[O:12])[C:6]([I:43])=[CH:5]2 | 2 |
[C:1](OC(=O)C)(=[O:3])[CH3:2].[NH2:8][CH2:9][C:10]1[CH:11]=[C:12]2[C:17](=[CH:18][CH:19]=1)[N:16]([CH:20]1[CH2:25][CH2:24][O:23][CH2:22][CH2:21]1)[C:15](=[O:26])[N:14]([CH2:27][C:28]1[CH:33]=[CH:32][C:31]([O:34][CH3:35])=[C:30]([O:36][CH3:37])[CH:29]=1)[C:13]2=[O:38].CCN(CC)CC>C(Cl)Cl>[CH3:37][O:36][C:30]1[CH:29]=[C:28]([CH:33]=[CH:32][C:31]=1[O:34][CH3:35])[CH2:27][N:14]1[C:13](=[O:38])[C:12]2[C:17](=[CH:18][CH:19]=[C:10]([CH2:9][NH:8][C:1](=[O:3])[CH3:2])[CH:11]=2)[N:16]([CH:20]2[CH2:25][CH2:24][O:23][CH2:22][CH2:21]2)[C:15]1=[O:26] | 1 |
[C:1]([CH:5]1[N:12]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[CH2:11][CH:10]2[N:6]1[CH2:7][CH2:8][CH2:9]2)([O:3]C)=O.N(C[C@@H]1CCCN1)[C:20]1[CH:25]=CC=C[CH:21]=1.[Cl-].[Mg+2].[Cl-].C([Mg]Br)(C)C>C1COCC1.CCOCC>[C:1]([CH:5]1[N:12]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[CH2:11][CH:10]2[N:6]1[CH2:7][CH2:8][CH2:9]2)(=[O:3])[CH:20]([CH3:25])[CH3:21] | 1 |
C(#N)CNC(=O)[C@H](CC(C)C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)N1CCN(CC1)C(=O)OC(C)(C)C>>C(#N)CNC([C@H](CC(C)C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)N1CCNCC1)=O | 5 |
[N:1]#[C:2][NH2:3].[CH3:4][C:5]([C:8]1[CH:9]=[C:10]([CH:19]=[C:20]2[N:24]([CH3:25])[C:23](SC)=[N:22][C:21]2=[O:28])[CH:11]=[C:12]([C:15]([CH3:18])([CH3:17])[CH3:16])[C:13]=1[OH:14])([CH3:7])[CH3:6].CC(C)([O-])C.[K+].P(=O)(O)(O)O>C(O)C.O>[CH3:4][C:5]([C:8]1[CH:9]=[C:10]([CH:19]=[C:20]2[N:24]([CH3:25])[C:23]([NH:3][C:2]#[N:1])=[N:22][C:21]2=[O:28])[CH:11]=[C:12]([C:15]([CH3:18])([CH3:17])[CH3:16])[C:13]=1[OH:14])([CH3:7])[CH3:6] | 1 |
Br[C:2]1[C:3]([CH2:9][CH3:10])=[CH:4][C:5]([NH2:8])=[N:6][CH:7]=1.[CH3:11][N:12](C=O)C>[C-]#N.[Zn+2].[C-]#N.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>[NH2:8][C:5]1[CH:4]=[C:3]([CH2:9][CH3:10])[C:2]([C:11]#[N:12])=[CH:7][N:6]=1 | 1 |
ClC1=CC=2C3=C(C(NC2C=C1)=O)N=CN3CC3=C(C=C(C=C3)OC)OC>>ClC1=NC=2C=CC(=CC2C2=C1N=CN2)Cl | 5 |
ClC1=CN=CC2=C1C=CS2>C1CCCO1.C(CCC)[Li].II>IN1C=C(C=2C(=C1)SCC2)Cl | 3 |
[Si:1]([O:8][C@H:9]1[C@H:14]([O:15][Si:16]([C:19]([CH3:22])([CH3:21])[CH3:20])([CH3:18])[CH3:17])[CH2:13][CH2:12][N:11](C(OCC2C=CC=CC=2)=O)[CH2:10]1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[Si:33]([O:40][C@@H:41]1[C@@H:46]([O:47][Si:48]([C:51]([CH3:54])([CH3:53])[CH3:52])([CH3:50])[CH3:49])[CH2:45][CH2:44][N:43]([C:55]([O:57][CH2:58][C:59]2[CH:64]=[CH:63][CH:62]=[CH:61][CH:60]=2)=[O:56])[CH2:42]1)([C:36]([CH3:39])([CH3:38])[CH3:37])([CH3:35])[CH3:34]>CCO.CCOC(C)=O.O.[Pd]>[Si:1]([O:8][C@H:9]1[C@H:14]([O:15][Si:16]([C:19]([CH3:22])([CH3:21])[CH3:20])([CH3:17])[CH3:18])[CH2:13][CH2:12][NH:11][CH2:10]1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[Si:33]([O:40][C@@H:41]1[C@@H:46]([O:47][Si:48]([C:51]([CH3:54])([CH3:53])[CH3:52])([CH3:50])[CH3:49])[CH2:45][CH2:44][N:43]([C:55]([O:57][CH2:58][C:59]2[CH:60]=[CH:61][CH:62]=[CH:63][CH:64]=2)=[O:56])[CH2:42]1)([C:36]([CH3:37])([CH3:38])[CH3:39])([CH3:35])[CH3:34] | 2 |
[N-]=[N+]=C.C(CCCCCCCCC)NC(C=CC1=CC(=CC=C1)NC(\C=C/C(=O)O)=O)=O>C(C)OCC.C(C)(=O)O.COCCOC>C(CCCCCCCCC)NC(C=CC1=CC(=CC=C1)NC(\C=C/C(=O)OC)=O)=O | 3 |
[C-]#N.[Na+].BrC1=CC=C2C(=CNC2=C1)C=O>>COC(=O)C1=CNC2=CC(=CC=C12)Br | 5 |
Cl[C:2]1[N:11]=[C:10]([O:12][CH3:13])[C:9]2[C:4](=[C:5]([O:18][CH3:19])[C:6]([O:16][CH3:17])=[C:7]([O:14][CH3:15])[CH:8]=2)[N:3]=1.[CH2:20]([NH2:30])[C:21]1[CH:29]=[CH:28][C:27]2[O:26][CH2:25][O:24][C:23]=2[CH:22]=1.C(=O)([O-])[O-].[Na+].[Na+]>C(O)(C)C>[CH2:25]1[O:26][C:27]2[CH:28]=[CH:29][C:21]([CH2:20][NH:30][C:2]3[N:11]=[C:10]([O:12][CH3:13])[C:9]4[C:4](=[C:5]([O:18][CH3:19])[C:6]([O:16][CH3:17])=[C:7]([O:14][CH3:15])[CH:8]=4)[N:3]=3)=[CH:22][C:23]=2[O:24]1 | 1 |
[C:1]1(=[O:11])[NH:5][C:4](=[O:6])[C:3]2=[CH:7][CH:8]=[CH:9][CH:10]=[C:2]12.[K].[Br:13][CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[C:17]([CH2:21]Br)[CH:16]=1.C(OCC)C.O>CN(C)C=O>[Br:13][CH2:14][C:15]1[CH:16]=[C:17]([CH:18]=[CH:19][CH:20]=1)[CH2:21][N:5]1[C:1](=[O:11])[C:2]2=[CH:10][CH:9]=[CH:8][CH:7]=[C:3]2[C:4]1=[O:6] | 1 |
N1=CC=C(C=C1)B(O)O.BrC1=CC=CC(=N1)CC1=C(N=C(C2=CC(=C(C=C12)OC)OC)C)O>>N1=C(C=CC=C1CC1=C(N=C(C2=CC(=C(C=C12)OC)OC)C)O)C1=CC=NC=C1 | 5 |
OCCCNC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O>>C1=CC=CC=2C3=CC=CC=C3C(C12)COC(NCCC=O)=O | 5 |
COC(C1=C(C=CC=C1)OC1=C(C(=CC=C1)OCCCOC1=C(C=C(C(=C1)OCC1=CC=CC=C1)C=1NN=NC1)CC)CCC)=O>>C(C)C1=C(OCCCOC=2C(=C(OC3=C(C(=O)O)C=CC=C3)C=CC2)CCC)C=C(C(=C1)C=1NN=NC1)O | 5 |
C1(=CC=CC=C1)S(=O)(=O)N1C(=CC=2C1=NC=C(C2)C2=CC=CC(=N2)C(=O)NCC(C)(C)C#N)C2=CC=CC=C2>O.C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(#N)C(CNC(=O)C1=NC(=CC=C1)C=1C=C2C(=NC1)NC(=C2)C2=CC=CC=C2)(C)C | 3 |
ClC=1C=C(C(=O)Cl)C=CC1.BrC1=C(C=C(C=C1)Cl)N>>BrC1=C(C=C(C=C1)Cl)NC(C1=CC(=CC=C1)Cl)=O | 5 |
[CH3:1][S:2]([N:5]1[CH2:10][CH:9]=[C:8]([C:11]2[CH:12]=[C:13]3[CH2:19][C@H:18]([CH:20]4[CH2:25][CH2:24][NH:23][CH2:22][CH2:21]4)[O:17][C:14]3=[CH:15][N:16]=2)[CH2:7][CH2:6]1)(=[O:4])=[O:3].Cl[C:27]1[N:32]=[CH:31][C:30]([C:33]([F:36])([F:35])[F:34])=[CH:29][N:28]=1.C([O-])([O-])=O.[K+].[K+].CS(C)=O>O>[CH3:1][S:2]([N:5]1[CH2:6][CH:7]=[C:8]([C:11]2[CH:12]=[C:13]3[CH2:19][C@H:18]([CH:20]4[CH2:25][CH2:24][N:23]([C:27]5[N:32]=[CH:31][C:30]([C:33]([F:36])([F:35])[F:34])=[CH:29][N:28]=5)[CH2:22][CH2:21]4)[O:17][C:14]3=[CH:15][N:16]=2)[CH2:9][CH2:10]1)(=[O:3])=[O:4] | 1 |
CN(CC#C)C.IC1=CC=C(C=C1)\C(=C/COC1=CC(=C(OCC(=O)OC)C=C1)C)\C1=CC(=CC=C1)C(F)(F)F>[Cu]I.C1CCCO1.CCN(CC)CC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>CN(C)CC#CC1=CC=C(C=C1)\C(=C/COC1=CC(=C(OCC(=O)OC)C=C1)C)\C1=CC(=CC=C1)C(F)(F)F | 3 |
[C:1]([O:4][C:5]1[CH:6]=[C:7](/[CH:13]=[CH:14]/[C:15]([OH:17])=O)[CH:8]=[CH:9][C:10]=1[O:11][CH3:12])(=[O:3])[CH3:2].S(Cl)(Cl)=O.[Cl:22][C:23]1[CH:28]=[CH:27][C:26]([NH2:29])=[CH:25][C:24]=1[O:30][CH2:31][C:32]1[CH:37]=[CH:36][N:35]=[CH:34][CH:33]=1.C(N(C(C)C)CC)(C)C>C1COCC1.C(Cl)Cl>[Cl:22][C:23]1[CH:28]=[CH:27][C:26]([NH:29][C:15](=[O:17])/[CH:14]=[CH:13]/[C:7]2[CH:8]=[CH:9][C:10]([O:11][CH3:12])=[C:5]([O:4][C:1](=[O:3])[CH3:2])[CH:6]=2)=[CH:25][C:24]=1[O:30][CH2:31][C:32]1[CH:33]=[CH:34][N:35]=[CH:36][CH:37]=1 | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:9]2[C:14]3[C:15](=[O:19])[NH:16][N:17]([CH3:18])[C:13]=3[NH:12][C:11]3[CH2:20][O:21][CH2:22][C:23](=[O:24])[C:10]2=3)[CH:5]=[CH:6][C:7]=1[F:8].[C:25](OC(=O)C)(=[O:27])[CH3:26]>>[C:25]([N:16]1[C:15](=[O:19])[C:14]2[CH:9]([C:4]3[CH:5]=[CH:6][C:7]([F:8])=[C:2]([Br:1])[CH:3]=3)[C:10]3[C:23](=[O:24])[CH2:22][O:21][CH2:20][C:11]=3[NH:12][C:13]=2[N:17]1[CH3:18])(=[O:27])[CH3:26] | 1 |
[F:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[CH:4][C:3]=1[C:9]([F:12])([F:11])[F:10].C[Al](C)C.C[O:18][C:19]([C:21]1[C:25]2[CH:26]=[CH:27][C:28]([O:30][C:31]3[CH:36]=[CH:35][N:34]=[C:33]([NH2:37])[N:32]=3)=[CH:29][C:24]=2[O:23][CH:22]=1)=O.[NH4+].[Cl-]>C1(C)C=CC=CC=1.C1COCC1>[F:1][C:2]1[CH:8]=[CH:7][C:5]([NH:6][C:19]([C:21]2[C:25]3[CH:26]=[CH:27][C:28]([O:30][C:31]4[CH:36]=[CH:35][N:34]=[C:33]([NH2:37])[N:32]=4)=[CH:29][C:24]=3[O:23][CH:22]=2)=[O:18])=[CH:4][C:3]=1[C:9]([F:10])([F:11])[F:12] | 1 |
C(C1=CC=CC=C1)C1=C(C(=C(N=N1)N1C[C@H](N(CC1)C1=NC=C(N=C1)C(C)=O)C)C)C>>C(C1=CC=CC=C1)C1=C(C(=C(N=N1)N1C[C@H](N(CC1)C1=NC=C(N=C1)C(CO)=O)C)C)C | 5 |
Cl.NC1C(NC(CC1)=O)=O.ClC=1C=C(COC2=C(C(C(=O)O)=CC=C2)C(=O)O)C=C(C1)Cl>c1ccncc1>ClC=1C=C(COC2=C3C(N(C(C3=CC=C2)=O)C2C(NC(CC2)=O)=O)=O)C=C(C1)Cl | 3 |
[F:1][C:2]([F:15])([F:14])[O:3][C:4]1[CH:5]=[C:6](/[CH:10]=[CH:11]/[C:12]#[N:13])[CH:7]=[CH:8][CH:9]=1.FC(F)(F)OC1C=C(/C=C\C#N)C=CC=1.Cl.[F:32][C:33]1[CH:38]=[CH:37][C:36]([NH:39][NH2:40])=[CH:35][CH:34]=1.[O-]CC.[Na+]>C(O)C>[F:32][C:33]1[CH:38]=[CH:37][C:36]([N:39]2[CH:10]([C:6]3[CH:7]=[CH:8][CH:9]=[C:4]([O:3][C:2]([F:14])([F:15])[F:1])[CH:5]=3)[CH2:11][C:12]([NH2:13])=[N:40]2)=[CH:35][CH:34]=1 | 1 |
[CH:1]1([Mg]Br)[CH2:3][CH2:2]1.[CH2:6]([C@@:9]1([CH3:35])[CH2:14][C@H:13]([C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([Cl:21])[CH:16]=2)[C@@H:12]([C:22]2[CH:27]=[CH:26][C:25]([Cl:28])=[CH:24][CH:23]=2)[N:11]([C@@H:29]([CH2:32][CH3:33])[CH:30]=[O:31])[C:10]1=[O:34])[CH:7]=[CH2:8]>C1COCC1>[CH2:6]([C@@:9]1([CH3:35])[CH2:14][C@H:13]([C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([Cl:21])[CH:16]=2)[C@@H:12]([C:22]2[CH:23]=[CH:24][C:25]([Cl:28])=[CH:26][CH:27]=2)[N:11]([C@@H:29]([CH2:32][CH3:33])[CH:30]([CH:1]2[CH2:3][CH2:2]2)[OH:31])[C:10]1=[O:34])[CH:7]=[CH2:8] | 1 |
BrC1=CC=C(C=C1)S(=O)(=O)NC(C(C)(C)O)C.C1(CC1)C1=CC=2C(=NC=CC2B(O)O)N1>O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].Cl[Pd]C1=C(C=CC=C1)C1=C(C=CC=C1)N(C)C.[C@@H]12C(C[C@@H](CC1)C2)PC2[C@H]1CC[C@@H](C2)C1>C1(CC1)C1=CC=2C(=NC=CC2C2=CC=C(C=C2)S(=O)(=O)NC(C(C)(C)O)C)N1 | 3 |
C(C)(C)(C)[Si](C)(C)OC1CN(C1)C1=CC(=NC(=C1)C)Cl>O.C1CCCO1.ClCCl.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>ClC1=NC(=CC(=C1)N1CC(C1)O)C | 3 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9]([C:14]([NH:16][C:17]3[CH:45]=[CH:44][C:20]([C:21]([N:23]([CH3:43])[C:24]4[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=4[C:30]#[C:31][CH2:32][NH:33][C:34]([N:36]4[CH2:41][CH2:40][N:39]([CH3:42])[CH2:38][CH2:37]4)=[O:35])=[O:22])=[CH:19][CH:18]=3)=[O:15])=[CH:10][CH:11]=[CH:12][CH:13]=2)=[CH:4][CH:3]=1.[BH4-].[Na+].C(OCC)C>O1CCCC1.CO.O.O.O.O.O.O.[Ni](Cl)Cl>[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9]([C:14]([NH:16][C:17]3[CH:45]=[CH:44][C:20]([C:21]([N:23]([CH3:43])[C:24]4[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=4[CH2:30][CH2:31][CH2:32][NH:33][C:34]([N:36]4[CH2:37][CH2:38][N:39]([CH3:42])[CH2:40][CH2:41]4)=[O:35])=[O:22])=[CH:19][CH:18]=3)=[O:15])=[CH:10][CH:11]=[CH:12][CH:13]=2)=[CH:4][CH:3]=1 | 1 |
C1(=CC=CC=C1)P(=O)(ON)C1=CC=CC=C1.ClC1=CC(=C(N1)C(=O)OCC)C>N(C)(C)C=O.[H-].[Na+]>NN1C(=C(C=C1C)C)C(=O)OCC | 3 |
[F:1][CH:2]1[CH2:5][N:4]([C:6]2[N:11]=[CH:10][N:9]=[C:8]3[N:12]([CH3:16])[N:13]=[C:14](I)[C:7]=23)[CH2:3]1.[CH3:17][N:18]1[CH:22]=[C:21](B2OC(C)(C)C(C)(C)O2)[CH:20]=[N:19]1.C1(P(C2CCCCC2)C2CCCCC2)CCCCC1.P([O-])([O-])([O-])=O.[K+].[K+].[K+]>O1CCOCC1.O.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd]>[F:1][CH:2]1[CH2:5][N:4]([C:6]2[N:11]=[CH:10][N:9]=[C:8]3[N:12]([CH3:16])[N:13]=[C:14]([C:21]4[CH:20]=[N:19][N:18]([CH3:17])[CH:22]=4)[C:7]=23)[CH2:3]1 | 1 |
NC1=C(C=C(C(=O)O)C=C1)[N+](=O)[O-]>N(C)(C)C=O.ClCCl.BrN1C(CCC1=O)=O>NC1=C(C=C(C(=O)O)C=C1[N+](=O)[O-])Br | 3 |
FC1=CC=C(CBr)C=C1.O=C(CC(=O)OC)CC>N(C)(C)C=O.C1CCCO1.[H-].[Na+]>COC(C(C(CC)=O)CC1=CC=C(C=C1)F)=O | 3 |
C(C)I.CC1(OB(OC1(C)C)C=1C=NNC1)C>>C(C)N1N=CC(=C1)B1OC(C(O1)(C)C)(C)C | 5 |
BrC1=CC=C(C=C1)B(O)O.OC(C)(C)C(C)(C)O>>CC1(OB(OC1(C)C)C1=CC=C(C=C1)Br)C | 5 |
CS(=O)(=O)Cl.O1C(=NC2=C1C=CC=C2)C=2C=C(C=C(C2)Br)N>C1(=CC=NC=C1)N(C)C.c1ccncc1>O1C(=NC2=C1C=CC=C2)C=2C=C(C=C(C2)Br)NS(=O)(=O)C | 3 |
[F:1][C:2]([F:31])([F:30])[O:3][C:4]1[CH:9]=[CH:8][C:7]([C:10]([C:19]2[CH:24]=[CH:23][C:22]([O:25][C:26]([F:29])([F:28])[F:27])=[CH:21][CH:20]=2)([OH:18])[CH:11]([N:13]2[N:17]=[N:16][CH:15]=[N:14]2)[CH3:12])=[CH:6][CH:5]=1.[H-].[Na+].[CH3:34]I>CN(C)C=O.O>[F:29][C:26]([F:27])([F:28])[O:25][C:22]1[CH:23]=[CH:24][C:19]([C:10]([C:7]2[CH:8]=[CH:9][C:4]([O:3][C:2]([F:1])([F:30])[F:31])=[CH:5][CH:6]=2)([O:18][CH3:34])[CH:11]([N:13]2[N:17]=[N:16][CH:15]=[N:14]2)[CH3:12])=[CH:20][CH:21]=1 | 1 |
[CH:1]1([C:4]([N:6]2[CH2:12][CH2:11][CH2:10][C:9](=[O:13])[CH2:8][CH2:7]2)=[O:5])[CH2:3][CH2:2]1.[Br:14]Br>C(O)(=O)C>[Br:14][CH:10]1[CH2:11][CH2:12][N:6]([C:4]([CH:1]2[CH2:2][CH2:3]2)=[O:5])[CH2:7][CH2:8][C:9]1=[O:13] | 1 |
[CH3:1][C:2]1[C:3]([CH3:18])=[C:4]2[O:13][C@:12]([C:15]([OH:17])=O)([CH3:14])[CH2:11][CH2:10][C:5]2=[C:6]([CH3:9])[C:7]=1[OH:8].[NH2:19][C@H:20]([C:28]([OH:30])=[O:29])[CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1.CO[C:33](=O)[C@H:34](CC(C)C)N>>[O:29]1[CH2:34][CH2:33][O:30][CH:28]1[C@@H:20]([NH:19][C:15]([C@@:12]1([CH3:14])[CH2:11][CH2:10][C:5]2[C:4](=[C:3]([CH3:18])[C:2]([CH3:1])=[C:7]([OH:8])[C:6]=2[CH3:9])[O:13]1)=[O:17])[CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1 | 1 |
[NH2:1][C:2]1[N:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[C:10](=[O:12])[N:9]([CH3:13])[C:8]1[CH:14]=[C:15]([Cl:18])[CH:16]=[CH:17][C:7]2=1.[H-].[Na+].Cl[CH2:22][C:23]1[CH:28]=[CH:27][C:26]([O:29][CH3:30])=[CH:25][CH:24]=1>CN(C=O)C>[Cl:18][C:15]1[CH:16]=[CH:17][C:7]2[C:6]3[C:11](=[C:2]([NH:1][CH2:22][C:23]4[CH:28]=[CH:27][C:26]([O:29][CH3:30])=[CH:25][CH:24]=4)[N:3]=[CH:4][CH:5]=3)[C:10](=[O:12])[N:9]([CH3:13])[C:8]=2[CH:14]=1 | 1 |
[CH:1]12[CH2:7][CH:4]([CH2:5][CH2:6]1)[C:3](=O)[C:2]2=O.COP([CH2:16][C:17](=O)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[CH3:24])(=O)OC.O.[NH2:27][NH2:28]>>[C:19]1([CH3:24])[CH:20]=[CH:21][CH:22]=[CH:23][C:18]=1[C:17]1[CH:16]=[C:3]2[C:2]([CH:1]3[CH2:7][CH:4]2[CH2:5][CH2:6]3)=[N:28][N:27]=1 | 1 |
C(C)(=O)C1=CC=CC=C1.C(CCC)(=O)Cl>C1(=CC=CC=C1)C.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].O.NN>C1(=CC=CC=C1)C1=NNC(=C1)CCC | 3 |
Br[CH:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[C:4](=[O:11])[CH2:3]1.[N-:12]=[N+:13]=[N-:14].[Na+]>CN(C=O)C>[N:12]([CH:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[C:4](=[O:11])[CH2:3]1)=[N+:13]=[N-:14] | 1 |
ClC(=O)OCC1=CC=CC=C1.Cl.CC1CNCCS1(=O)=O>ClCCl.CCN(CC)CC>CC1CN(CCS1(=O)=O)C(=O)OCC1=CC=CC=C1 | 3 |
[Br-].[CH3:2][O:3][C:4]1[CH:30]=[CH:29][C:7]([CH2:8][CH2:9][P+](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=[CH:6][CH:5]=1.[Li]CCCC.[CH:36](=O)[CH2:37][CH2:38]/[CH:39]=[CH:40]/[CH2:41][CH2:42][CH2:43][CH2:44][CH3:45]>>[CH2:8]([C:7]1[CH:6]=[CH:5][C:4]([O:3][CH3:2])=[CH:30][CH:29]=1)[CH:9]=[CH:36][CH2:37][CH2:38]/[CH:39]=[CH:40]/[CH2:41][CH2:42][CH2:43][CH2:44][CH3:45] | 1 |
CC(=CCOC(C)=O)CCC=C(C=O)C>O.C(C)(C)(C)O.Cl(=O)[O-].[Na+].CC(C)=CC.P(=O)(O)(O)[O-].[Na+]>C(C)(=O)OCC=C(CCC=C(C(=O)O)C)C | 3 |
ClC1=CC=C(C=C1)C1=C(C(OC1(C)O)=O)C1=NC=CC=C1>C(CCC)O.O.NN>ClC1=CC=C(C=C1)C1=C(C(NN=C1C)=O)C1=NC=CC=C1 | 3 |
[C:1]([C:3]1[C:4]([F:26])=[C:5]([CH2:9][C:10]2[N:11]=[C:12]3[S:19][C:18]([CH3:20])=[C:17]([C:21]([O:23]CC)=[O:22])[N:13]3[C:14](=[O:16])[CH:15]=2)[CH:6]=[CH:7][CH:8]=1)#[N:2].[OH-].[Li+].Cl>O1CCCC1.O.ClCCl>[C:1]([C:3]1[C:4]([F:26])=[C:5]([CH2:9][C:10]2[N:11]=[C:12]3[S:19][C:18]([CH3:20])=[C:17]([C:21]([OH:23])=[O:22])[N:13]3[C:14](=[O:16])[CH:15]=2)[CH:6]=[CH:7][CH:8]=1)#[N:2] | 2 |
C(C)(=O)N1CCN(CC1)C1=CC=C(C=C1)N.ClC1=NC=C2N=CN(C2=N1)C(CC)CC>N(C)(C)C=O.C1(=CC=C(C=C1)S(=O)(=O)O)C>C(C)C(CC)N1C2=NC(=NC=C2N=C1)NC1=CC=C(C=C1)N1CCN(CC1)C(C)=O | 3 |
ClC1=C(CNC=2SCC(N2)=O)C=CC=C1.C(=O)C=1N=C2C(=C(C=NC2=CC1)C#N)OC(C)C>C(C)(=O)O.C(C)(=O)[O-].[Na+]>ClC1=C(CNC=2SC(C(N2)=O)=CC=2N=C3C(=C(C=NC3=CC2)C#N)OC(C)C)C=CC=C1 | 3 |
ClC1=NC(=CN=C1)Cl>C(CCC)O.C(C)(C)N(C(C)C)CC.C(O)CN>ClC1=CN=CC(=N1)NCCO | 3 |
CN(C(=O)[C@H]1CN(C(C1)=O)[C@H](C)C1=CC=CC=C1)OC.C1(=CC=CC=C1)[Mg]>C1CCCO1.C(C)OCC>C1(=CC=CC=C1)C(=O)[C@@H]1CC(N(C1)[C@H](C)C1=CC=CC=C1)=O | 3 |
[Br-].[CH3:2][N:3]([CH3:25])[CH2:4][CH2:5][P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.C[Si]([N-][Si](C)(C)C)(C)C.[K+].[CH:36]([C:38]1[CH:43]=[CH:42][C:41]([CH:44]=[CH:45][C:46]([O:48][CH3:49])=[O:47])=[CH:40][CH:39]=1)=O>CN(C=O)C>[CH3:2][N:3]([CH3:25])[CH2:4][CH:5]=[CH:36][C:38]1[CH:43]=[CH:42][C:41](/[CH:44]=[CH:45]/[C:46]([O:48][CH3:49])=[O:47])=[CH:40][CH:39]=1.[CH3:2][N:3]([CH3:25])[CH2:4][CH:5]=[CH:36][C:38]1[CH:43]=[CH:42][C:41](/[CH:44]=[CH:45]/[C:46]([OH:48])=[O:47])=[CH:40][CH:39]=1 | 1 |
[CH2:1]([N:8]1[C:16]2[C:11](=[CH:12][C:13]([NH:17][C:18]3[C:27]4[C:22](=[CH:23][CH:24]=[C:25](I)[CH:26]=4)[N:21]=[CH:20][N:19]=3)=[CH:14][CH:15]=2)[CH:10]=[N:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH:29]([O-:31])=[O:30].[Na+].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[OH-].[Na+]>CN(C=O)C>[CH2:1]([N:8]1[C:16]2[C:11](=[CH:12][C:13]([NH:17][C:18]3[C:27]4[C:22](=[CH:23][CH:24]=[C:25]([C:29]([OH:31])=[O:30])[CH:26]=4)[N:21]=[CH:20][N:19]=3)=[CH:14][CH:15]=2)[CH:10]=[N:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
CS([C:4]1[N:9]=[CH:8][C:7]2=[CH:10][CH:11]=[C:12]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=3[N:19]([CH3:24])[S:20]([CH3:23])(=[O:22])=[O:21])[N:6]2[N:5]=1)=O.CS(O)(=O)=O.[CH3:30][O:31][C:32]1[CH:40]=[C:39]2[C:35]([CH2:36][N:37]([CH3:41])[CH2:38]2)=[CH:34][C:33]=1[NH2:42]>COCC(O)C>[CH3:30][O:31][C:32]1[CH:40]=[C:39]2[C:35]([CH2:36][N:37]([CH3:41])[CH2:38]2)=[CH:34][C:33]=1[NH:42][C:4]1[N:9]=[CH:8][C:7]2=[CH:10][CH:11]=[C:12]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=3[N:19]([CH3:24])[S:20]([CH3:23])(=[O:22])=[O:21])[N:6]2[N:5]=1 | 1 |
COC(OC)=O.ClC=1C=C(C=NC1OC(C)C)C1=NC(=NO1)C1=C2C=CNC2=C(C=C1)CCC(=O)O>N(C)(C)C=O.N12CCN(CC1)CC2>ClC=1C=C(C=NC1OC(C)C)C1=NC(=NO1)C1=C2C=CN(C2=C(C=C1)CCC(=O)OC)C | 3 |
[NH2:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[C@@H:11]2[O:26][C@H:25]([CH2:27][OH:28])[C@@H:23]([OH:24])[C@H:12]2[O:13][CH2:14][CH2:15][CH2:16][CH2:17][N:18]2[CH:22]=[CH:21][N:20]=[CH:19]2)=[C:4](N)[N:3]=1.NC1N=C2C(N=CN2[C@@H]2O[C@H](CO)[C@@H](OCCCCN3C=CN=C3)[C@H]2[OH:42])=C(N)N=1.[C@@H]1(N2C3N=CN=C(N)C=3N=C2)O[C@H](CO)[C@@H](O)[C@H]1O>>[N:18]1([CH2:17][CH2:16][CH2:15][CH2:14][O:13][C@@H:12]2[C@H:23]([OH:24])[C@@H:25]([CH2:27][OH:28])[O:26][C@H:11]2[N:8]2[C:9]3[N:10]=[C:2]([NH2:1])[NH:3][C:4](=[O:42])[C:5]=3[N:6]=[CH:7]2)[CH:22]=[CH:21][N:20]=[CH:19]1 | 1 |
C(OC(OCC)[N:5]1[CH:9]=[CH:8][N:7]=[CH:6]1)C.C([Li])CCC.[F:18][C:19]1[C:26]([F:27])=[CH:25][CH:24]=[CH:23][C:20]=1[CH:21]=[O:22]>O1CCCC1>[F:18][C:19]1[C:26]([F:27])=[CH:25][CH:24]=[CH:23][C:20]=1[CH:21]([C:6]1[NH:5][CH:9]=[CH:8][N:7]=1)[OH:22] | 1 |
CI.C(C1=CC=CC=C1)OC=1C(=CC2=C(C(OC3=CC(=C(C=C23)C)NC(OC(C)(C)C)=O)(C)C)C1)C>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)OC=1C(=CC2=C(C(OC3=CC(=C(C=C23)C)N(C(OC(C)(C)C)=O)C)(C)C)C1)C | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C(C)C)NCC1CCN(CC1)C(=O)OCC1=CC=CC=C1>O.ClCCl.C(C)(C)N(C(C)C)CC>C(C)(C)(C)OC(=O)N(CC(C)C)CC1CCN(CC1)C(=O)OCC1=CC=CC=C1 | 3 |
COC(=O)C1=NC=C(N=C1Cl)Cl>CO[H].C[O-].[Na+]>ClC=1C(=NC=C(N1)OC)C(=O)OC | 3 |
CN1N=C(C(=C1)NC(=O)C1=NC(=CC=C1)C=1C=NNC1)C(=O)[O-].[Li+]>>CN1N=C(C(=C1)NC(=O)C1=NC(=CC=C1)C=1C=NNC1)C(NCCCC=C)=O | 5 |
[OH-].[K+].Cl.[CH:4]1([CH2:7][NH2:8])[CH2:6][CH2:5]1.[N+:9]([C:12]1[CH:13]=[CH:14][C:15]2[N:21]3[C:22]([CH2:25]Cl)=[N:23][N:24]=[C:20]3[CH2:19][N:18]=[C:17]([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=3[Cl:33])[C:16]=2[CH:34]=1)([O-:11])=[O:10].[I-].[K+]>O1CCCC1>[N+:9]([C:12]1[CH:13]=[CH:14][C:15]2[N:21]3[C:22]([CH2:25][NH:8][CH2:7][CH:4]4[CH2:6][CH2:5]4)=[N:23][N:24]=[C:20]3[CH2:19][N:18]=[C:17]([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=3[Cl:33])[C:16]=2[CH:34]=1)([O-:11])=[O:10] | 1 |
C(C1=CC=CC=C1)S.BrC1=C(C=C(C=C1)C(\C=C(\C(F)(F)F)/C1=CC(=CC(=C1)Cl)Cl)=O)C>C1CCCO1.[OH-].[Na+]>C(C1=CC=CC=C1)SC(CC(=O)C1=CC(=C(C=C1)Br)C)(C(F)(F)F)C1=CC(=CC(=C1)Cl)Cl | 3 |
C1(=CC=CC=C1)N=C=O.FC(C=1C=C(CC2C(N=C(S2)N)=O)C=CC1)(F)F>C1(=CC=CC=C1)C>FC(C=1C=C(CC2C(NC(S2)=NC(=O)NC2=CC=CC=C2)=O)C=CC1)(F)F | 3 |
CS(=O)(=O)Cl.Cl.Cl.C(C)(C)(C)C1=C(C=CC=C1)N1CCN(CC1)C(C(=O)NC1CCNCC1)=O>>C(C)(C)(C)C1=C(C=CC=C1)N1CCN(CC1)C(C(=O)NC1CCN(CC1)S(=O)(=O)C)=O | 5 |
C([O:3][C:4](=[O:29])[C:5]1[CH:10]=[CH:9][C:8]([CH:11]2[CH2:15][C:14]([C:20]3[CH:25]=[C:24]([Cl:26])[CH:23]=[C:22]([Cl:27])[CH:21]=3)([C:16]([F:19])([F:18])[F:17])[CH:13]=[N:12]2)=[CH:7][C:6]=1[CH3:28])C.[OH-].[Na+].Cl.C(OCC)(=O)C>C(O)C.O>[Cl:27][C:22]1[CH:21]=[C:20]([C:14]2([C:16]([F:18])([F:19])[F:17])[CH2:13][N:12]=[C:11]([C:8]3[CH:9]=[CH:10][C:5]([C:4]([OH:29])=[O:3])=[C:6]([CH3:28])[CH:7]=3)[CH2:15]2)[CH:25]=[C:24]([Cl:26])[CH:23]=1 | 1 |
CO[C:3](=O)[CH:4]=[CH:5][C:6]1[S:10][C:9]2[CH:11]=[CH:12][C:13]([CH2:15][NH:16][C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])=[CH:14][C:8]=2[CH:7]=1.CC(OI1(OC(C)=O)(OC(C)=O)O[C:36](=O)[C:35]2[CH:34]=CC=CC1=2)=O.O>ClCCl>[C:20]([O:19][C:17](=[O:18])[NH:16][CH2:15][C:13]1[CH:12]=[CH:11][C:9]2[S:10][C:6]([CH2:5][CH2:4][CH2:3][N:16]([CH2:34][CH2:35][CH3:36])[CH2:15][CH2:13][CH3:12])=[CH:7][C:8]=2[CH:14]=1)([CH3:23])([CH3:22])[CH3:21] | 1 |
[N+](=O)([O-])C1=C(C=CC=C1)O.C(C)(=O)O[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)C(=O)OC)Br>CC#N.[O-2].[Ag+].[Ag+]>C(C)(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(C)=O)OC(C)=O)OC1=C(C=CC=C1)[N+](=O)[O-])C(=O)OC | 3 |
FC1=C(C=CC(=C1)F)SC1=C2C=CC(=NC2=CC=C1OC)S(=O)(=O)C>>FC1=C(C=CC(=C1)F)S(=O)C1=C2C=CC(=NC2=CC=C1OC)S(=O)(=O)C | 5 |
N(N)C(=O)OC(C)(C)C.O=C1CCC(CC1)(C(=O)OC)C1=CC=C(C=C1)C(F)(F)F>>C(C)(C)(C)OC(=O)NNC1CCC(CC1)(C(=O)OC)C1=CC=C(C=C1)C(F)(F)F | 5 |
C1(CCCCC1)C=O.N1C[C@H](CCC1)CO>C1CCCO1.Cl.[Na].C(C)(=O)O>C1(CCCCC1)CN1C[C@H](CCC1)CO | 3 |
[CH3:1][O:2][C:3]([N:5]1[C@@H:13]2[C@@H:8]([C@@:9]([OH:23])([C:14]#[C:15][C:16]3[CH:17]=[C:18]([CH3:22])[CH:19]=[CH:20][CH:21]=3)[CH2:10][CH2:11][CH2:12]2)[CH2:7][CH2:6]1)=[O:4].[C:24](O)(=[O:31])[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1>>[C:24]([O:23][C@@:9]1([C:14]#[C:15][C:16]2[CH:17]=[C:18]([CH3:22])[CH:19]=[CH:20][CH:21]=2)[CH2:10][CH2:11][CH2:12][C@@H:13]2[C@H:8]1[CH2:7][CH2:6][N:5]2[C:3]([O:2][CH3:1])=[O:4])(=[O:31])[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1 | 1 |
[NH:1]([C:8]1[C:16]2[CH:15]=[CH:14][C:13](=[O:17])[N:12]([C:18]3[CH:22]=[CH:21][S:20][CH:19]=3)[C:11]=2[S:10][C:9]=1[C:23]([O:25]CC)=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(OCCO)C.[NH3:34]>>[NH:1]([C:8]1[C:16]2[CH:15]=[CH:14][C:13](=[O:17])[N:12]([C:18]3[CH:22]=[CH:21][S:20][CH:19]=3)[C:11]=2[S:10][C:9]=1[C:23]([NH2:34])=[O:25])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
COC1=C(C=CC=C1)B(O)O.C(C)OC(=O)C1=CN=C(S1)Br>>COC1=C(C=CC=C1)C=1SC(=CN1)C(=O)OCC | 5 |
ClC1=C(C(=CC=C1)Cl)I.N1CC(C1)C=1C(=CC(=NC1)CN1CCC(CC1)C(=O)OC)C>>ClC1=C(C(=CC=C1)Cl)N1CC(C1)C=1C(=CC(=NC1)CN1CCC(CC1)C(=O)OC)C | 5 |
C(C1=CC=CC=C1)OC1=CC(=CC=2N(C(=NC21)C)C)C(=O)OCC>CCO[H].[HH].[Pd]>OC1=CC(=CC=2N(C(=NC21)C)C)C(=O)OCC | 3 |
[OH-:1].[K+].[Mn]([O-])(=O)(=O)=O.[K+].[F:9][C:10]12[CH2:19][CH:14]3[CH2:15][CH:16]([CH2:18][C:12]([C:20]([OH:22])=[O:21])([CH2:13]3)[CH2:11]1)[CH2:17]2>>[F:9][C:10]12[CH2:19][CH:14]3[CH2:15][C:16]([OH:1])([CH2:18][C:12]([C:20]([OH:22])=[O:21])([CH2:13]3)[CH2:11]1)[CH2:17]2 | 1 |
FC1=C(C=CC(=C1)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F.C(C)OC(=O)C1=C(C=2C=NC=C(C2N1C)F)N>>C(C)OC(=O)C1=C(C=2C=NC=C(C2N1C)F)NC1=C(C=C(C=C1)[Si](C)(C)C)F | 5 |
[NH2:1][CH:2]1[CH2:7][CH2:6][N:5]([CH2:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[CH2:4][CH2:3]1.[S:15](N)([NH2:18])(=[O:17])=[O:16]>C(COC)OC>[CH2:8]([N:5]1[CH2:6][CH2:7][CH:2]([NH:1][S:15]([NH2:18])(=[O:17])=[O:16])[CH2:3][CH2:4]1)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1 | 1 |
FC1=CC=C(CBr)C=C1.COC(C1=C(C=CC=C1)N)=O>>FC1=CC=C(C=C1)CNC1=C(C(=O)OC)C=CC=C1 | 5 |
FC=1C=C(C=CC1C=1SC2=NC(=CC=C2N1)C1(CC1)C1=CC=CC=C1)[C@H](C)N[S@](=O)C(C)(C)C>>FC=1C=C(C=CC1C=1SC2=NC(=CC=C2N1)C1(CC1)C1=CC=CC=C1)[C@H](C)N | 5 |
N[C@@H]([C@H](O)C1=CC=C(C=C1)I)CF>CC(=O)C>FC[C@H]1NC(O[C@@H]1C1=CC=C(C=C1)I)(C)C | 3 |
C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[CH3:20][N:21]1[C:25]([CH3:26])=[C:24]([C:27]([OH:29])=O)[C:23]([CH3:30])=[N:22]1.ClN1C(=O)CCC1=O.[CH:39]1([CH2:42][N:43]2[C:51]3[N:50]=[C:49]([CH2:52][C:53]4[CH:58]=[CH:57][C:56]([NH:59][CH2:60][CH3:61])=[CH:55][CH:54]=4)[NH:48][C:47]=3[C:46](=[O:62])[N:45]([CH2:63][C:64]3[CH:69]=[CH:68][CH:67]=[CH:66][C:65]=3[F:70])[C:44]2=[O:71])[CH2:41][CH2:40]1.C(N(CC)CC)C>ClCCl.CN(C)C1C=CN=CC=1>[CH:39]1([CH2:42][N:43]2[C:51]3[N:50]=[C:49]([CH2:52][C:53]4[CH:54]=[CH:55][C:56]([N:59]([CH2:60][CH3:61])[C:27]([C:24]5[C:23]([CH3:30])=[N:22][N:21]([CH3:20])[C:25]=5[CH3:26])=[O:29])=[CH:57][CH:58]=4)[NH:48][C:47]=3[C:46](=[O:62])[N:45]([CH2:63][C:64]3[CH:69]=[CH:68][CH:67]=[CH:66][C:65]=3[F:70])[C:44]2=[O:71])[CH2:41][CH2:40]1 | 1 |
[C:1]([O:5][C:6](=[O:27])[C:7]([S:10][C:11]1[S:12][CH:13]=[C:14]([CH2:16][C:17]([NH:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])=O)[N:15]=1)([CH3:9])[CH3:8])([CH3:4])([CH3:3])[CH3:2].CO>O1CCCC1>[C:1]([O:5][C:6](=[O:27])[C:7]([S:10][C:11]1[S:12][CH:13]=[C:14]([CH2:16][CH2:17][NH:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[N:15]=1)([CH3:9])[CH3:8])([CH3:4])([CH3:3])[CH3:2] | 1 |
COC1=CC=C(C=C1)S.BrC=1C2=C(C=NC1)N=C(N2CC)C=2C(=NON2)N>C1(=CC=CC=C1)C.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.CC(C)(C)[O-].[Na+].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>C(C)N1C(=NC=2C=NC=C(C21)SC2=CC=C(C=C2)OC)C=2C(=NON2)N | 3 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC1C2C(N(C(C1)C2)C(=O)OC(C)(C)C)C(=O)OCC>C1CCCO1.[Cl-].[NH4+].[BH4-].[Li+]>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC1C2C(N(C(C1)C2)C(=O)OC(C)(C)C)CO | 3 |
CN1C2=CC=C(C=C2C=2C[C@@H](CCC12)C1CCOCC1)C(=O)O.Cl.C(C)NC(=O)[C@H]1C(NCC1)=O>>C(C)NC(=O)[C@@H]1CN(CC1)C(=O)C=1C=C2C=3C[C@@H](CCC3N(C2=CC1)C)C1CCOCC1 | 5 |
[CH3:1][O:2][C:3]1[N:8]=[CH:7][C:6]([NH2:9])=[CH:5][CH:4]=1.[C:10]([C:14]1[CH:19]=[CH:18][C:17]([S:20](Cl)(=[O:22])=[O:21])=[CH:16][CH:15]=1)([CH3:13])([CH3:12])[CH3:11]>>[C:10]([C:14]1[CH:19]=[CH:18][C:17]([S:20]([NH:9][C:6]2[CH:7]=[N:8][C:3]([O:2][CH3:1])=[CH:4][CH:5]=2)(=[O:22])=[O:21])=[CH:16][CH:15]=1)([CH3:13])([CH3:11])[CH3:12] | 1 |
Br[C:2]1[C:3]([C:22]([F:25])([F:24])[F:23])=[N:4][CH:5]=[C:6]([CH:21]=1)[C:7]([NH:9][C:10]1[CH:15]=[CH:14][C:13]([O:16][C:17]([F:20])([F:19])[F:18])=[CH:12][CH:11]=1)=[O:8].[N:26]1[CH:31]=[C:30](B(O)O)[CH:29]=[N:28][CH:27]=1.C([O-])([O-])=O.[Cs+].[Cs+]>O.O1CCOCC1>[N:26]1[CH:31]=[C:30]([C:2]2[C:3]([C:22]([F:25])([F:24])[F:23])=[N:4][CH:5]=[C:6]([CH:21]=2)[C:7]([NH:9][C:10]2[CH:15]=[CH:14][C:13]([O:16][C:17]([F:20])([F:19])[F:18])=[CH:12][CH:11]=2)=[O:8])[CH:29]=[N:28][CH:27]=1 | 1 |
C(C)C=1C=C(C=C2C=CC=NC12)[N+](=O)[O-]>>C(C)C=1C=C(C=C2C=CC=NC12)N | 5 |
[OH-].[Na+].[C:3]1([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[CH:8]=[CH:7][C:6]([C:9]2[S:13][C:12]([C:14]([O:16]C)=[O:15])=[CH:11][CH:10]=2)=[CH:5][CH:4]=1>O.C1COCC1.CO>[C:3]1([C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=2)[CH:8]=[CH:7][C:6]([C:9]2[S:13][C:12]([C:14]([OH:16])=[O:15])=[CH:11][CH:10]=2)=[CH:5][CH:4]=1 | 1 |
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