smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C=C)(=O)Cl.ClC1=NN(C=C1NCC)C=1C=NC=CC1>ClCCl.C(O)([O-])=O.[Na+]>ClC1=NN(C=C1N(C(C=C)=O)CC)C=1C=NC=CC1 | 3 |
[CH2:1]([O:8][CH2:9][C@H:10]1[CH2:14][CH2:13][C@@H:12]([NH:15]C(=O)OC(C)(C)C)[CH2:11]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[ClH:23]>C(Cl)Cl.O1CCOCC1.CCOCC>[ClH:23].[CH2:1]([O:8][CH2:9][C@H:10]1[CH2:14][CH2:13][C@@H:12]([NH2:15])[CH2:11]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[CH3:1][CH2:2][O:3][C:4]([C:6]1([CH3:14])[NH:10][CH:9]([C:11]([OH:13])=[O:12])[CH2:8][S:7]1)=[O:5].C(N(CC)CC)C.[C:22](Cl)(=[O:24])[CH3:23]>>[CH3:1][CH2:2][O:3][C:4]([C:6]1([CH3:14])[N:10]([C:22](=[O:24])[CH3:23])[CH:9]([C:11]([OH:13])=[O:12])[CH2:8][S:7]1)=[O:5] | 1 |
C(CCC)(=O)CC(=O)OCC.N(=[N+]=[N-])C1=CC=C(C(=O)NCC2=CC=CC=C2)C=C1>>C(C1=CC=CC=C1)NC(=O)C1=CC=C(C=C1)N1N=NC(=C1CCC)C(=O)O | 5 |
O1[C:5]2([CH2:10][CH2:9][CH:8]([C:11]3[C:19]4[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=4)[NH:13][CH:12]=3)[CH2:7][CH2:6]2)[O:4]CC1.Cl>C1COCC1>[NH:13]1[C:14]2[C:19](=[CH:18][CH:17]=[CH:16][CH:15]=2)[C:11]([CH:8]2[CH2:7][CH2:6][C:5](=[O:4])[CH2:10][CH2:9]2)=[CH:12]1 | 1 |
[I:1][C:2]1[CH:3]=[C:4]([NH:8][C:9]2[C:18]3[C:13](=[CH:14][CH:15]=[C:16]([N+:19]([O-])=O)[CH:17]=3)[N:12]=[CH:11][C:10]=2[C:22]#[N:23])[CH:5]=[CH:6][CH:7]=1>C(O)C>[NH2:19][C:16]1[CH:17]=[C:18]2[C:13](=[CH:14][CH:15]=1)[N:12]=[CH:11][C:10]([C:22]#[N:23])=[C:9]2[NH:8][C:4]1[CH:5]=[CH:6][CH:7]=[C:2]([I:1])[CH:3]=1 | 1 |
[OH:1][C@H:2]1[C@@H:7]([C:8]#[N:9])[CH2:6][CH2:5][O:4][CH2:3]1.[CH2:10]([Li])CCC.COS(C(F)(F)F)(=O)=O>O1CCCC1>[CH3:10][O:1][C@H:2]1[C@@H:7]([C:8]#[N:9])[CH2:6][CH2:5][O:4][CH2:3]1 | 2 |
CS(=O)(=O)C=1C=C2CCNC2=CC1.C(C)(C)OC(=O)N1CCC(CC1)OC1=NC(=NC(=C1)Cl)C>N(C)(C)C=O.[H-].[Na+]>C(C)(C)OC(=O)N1CCC(CC1)OC1=NC(=NC(=C1)N1CCC2=CC(=CC=C12)S(=O)(=O)C)C | 3 |
C(C1=CC=CC=C1)OC1=C(C=C(C=C1)[C@H](CI)O[Si](CC)(CC)CC)NS(=O)(=O)C.N[C@@H](CC1=CNC2=C(C=CC=C12)C(=O)OC)C>CC#N.C1CCCO1.C(C)(C)N(C(C)C)CC>C(C1=CC=CC=C1)OC1=C(C=C(C=C1)[C@H](CN[C@@H](CC1=CNC2=C(C=CC=C12)C(=O)OC)C)O[Si](CC)(CC)CC)NS(=O)(=O)C | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2([C:24]([F:27])([F:26])[F:25])[O:13][N:12]=[C:11]([C:14]3[CH:22]=[CH:21][C:17]([C:18](Cl)=[O:19])=[C:16]([CH3:23])[CH:15]=3)[CH2:10]2)[CH:5]=[C:6]([Cl:8])[CH:7]=1.S(O)(O)(=O)=O.[CH3:33][O:34][C:35](=[NH:37])[NH2:36].C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[NH2:37][C:35]([O:34][CH3:33])=[N:36][C:18](=[O:19])[C:17]1[CH:21]=[CH:22][C:14]([C:11]2[CH2:10][C:9]([C:4]3[CH:5]=[C:6]([Cl:8])[CH:7]=[C:2]([Cl:1])[CH:3]=3)([C:24]([F:26])([F:27])[F:25])[O:13][N:12]=2)=[CH:15][C:16]=1[CH3:23] | 1 |
N1C(CNCC1)=O.BrC=1C=NC(=NC1)Cl>>BrC=1C=NC(=NC1)N1CC(NCC1)=O | 5 |
[C:1]1([NH:7]N)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[S:9]1[CH2:13][CH2:12][C:11](=O)[CH2:10]1.O>C(O)(=O)C>[S:9]1[C:10]2[C:2]3[CH:3]=[CH:4][CH:5]=[CH:6][C:1]=3[NH:7][C:11]=2[CH2:12][CH2:13]1 | 1 |
NC1=C(C=C(C=C1)OC(F)(F)F)SSC1=C(N)C=CC(=C1)OC(F)(F)F.CC1(C(CC(NC12CC2)=O)=O)C>CCN(CC)CC.CCO[H]>CC1(C=2NC3=C(SC2C(NC12CC2)=O)C=C(C=C3)OC(F)(F)F)C | 3 |
CN1C(=NC=C1[N+](=O)[O-])C1=NC2=CC=CC=C2C(N1)=O>P(Cl)(Cl)(Cl)(Cl)Cl.P(=O)(Cl)(Cl)Cl>CN1C(=NC=C1[N+](=O)[O-])C1=NC2=CC=CC=C2C(=N1)Cl | 3 |
[CH:1]1([CH2:6][C:7]2[CH:12]=[CH:11][C:10]([CH:13]([CH3:17])[C:14]([OH:16])=[O:15])=[CH:9][CH:8]=2)[CH2:5][CH2:4][CH2:3][CH2:2]1.C[O-].[Na+:20]>CO>[CH:1]1([CH2:6][C:7]2[CH:8]=[CH:9][C:10]([CH:13]([CH3:17])[C:14]([O-:16])=[O:15])=[CH:11][CH:12]=2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Na+:20] | 1 |
C(C)OC(COC1=CC(=C(C=C1)OCCC=1N=C(OC1C)C1=CC=CC=C1)CC)=O>>C(C)C=1C=C(OCC(=O)O)C=CC1OCCC=1N=C(OC1C)C1=CC=CC=C1 | 5 |
FC1=C(C=CC(=C1)F)C(CC=1C=CC=2N(N1)C(=NN2)C(C)C)=O>>FC1=C(C=CC(=C1)F)C(C(=O)C=1C=CC=2N(N1)C(=NN2)C(C)C)=O | 5 |
[Br:1][C:2]1[C:7]([O:8][C:9]2[CH:10]=[C:11]([CH:14]=[C:15]([Cl:17])[CH:16]=2)[C:12]#[N:13])=[C:6]([F:18])[C:5]([CH2:19][C:20]2[C:28]3[C:23](=[N:24][N:25]=[CH:26][CH:27]=3)[N:22]([CH2:29][OH:30])[N:21]=2)=[CH:4][CH:3]=1.C(Cl)Cl.[C:34](OC(=O)C)(=[O:36])[CH3:35]>N1C=CC=CC=1>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:19][C:20]2[C:28]3[C:23](=[N:24][N:25]=[CH:26][CH:27]=3)[N:22]([CH2:29][O:30][C:34](=[O:36])[CH3:35])[N:21]=2)=[C:6]([F:18])[C:7]=1[O:8][C:9]1[CH:10]=[C:11]([C:12]#[N:13])[CH:14]=[C:15]([Cl:17])[CH:16]=1 | 1 |
BrCCCCCCBr.[N+](=O)([O-])C=1C=C(C(C#N)=CC1)C#N.OC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)C1=CC=C(C=C1)O>>C(C=1C(C#N)=CC=CC1)#N | 5 |
C(C)(C)(C)OC(=O)N1[C@H](CNCC1)C.O1CC(C1)=O>C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C[C@@H]1N(CCN(C1)C1COC1)C(=O)OC(C)(C)C | 3 |
BrC1=CC2=CC=C(C=C2C=C1)OC>O(O[H])[H].C1CCCO1.BrBr.[Mg].II.C(C)(=O)O.COB(OC)OC>COC=1C=C2C=CC(=CC2=CC1)O | 3 |
Cl.C1(=CC=CC=C1)C(N1CC(C1)O)C1=CC=CC=C1>>C(C1=CC=CC=C1)(C1=CC=CC=C1)N1CC(C1)O | 5 |
[O:1]=[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[NH:5][CH:4]=[C:3]1[C:12]([OH:14])=O.C(N(CC)CC)C.ClC(OCC)=O.[CH2:28]([NH2:34])[CH:29]1[O:33][CH2:32][CH2:31][CH2:30]1.[Cl-].[NH4+]>CN(C=O)C.C1COCC1>[CH2:28]([NH:34][C:12]([C:3]1[C:2](=[O:1])[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[NH:5][CH:4]=1)=[O:14])[CH:29]1[O:33][CH2:32][CH2:31][CH2:30]1 | 1 |
NC1=C2CCCC2=CC=C1C(O)C1CC1>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+].C(C)[SiH](CC)CC>C1(CC1)CC1=C(C=2CCCC2C=C1)N | 3 |
[CH3:1][C:2]1[NH:11][C:10](=[O:12])[C:9]2[C:4](=[CH:5][C:6]3[CH2:15][CH2:14][C@H:13]([N:16]([C:20]4[CH:28]=[CH:27][C:23]([C:24]([OH:26])=[O:25])=[CH:22][CH:21]=4)[CH2:17][C:18]#[CH:19])[C:7]=3[CH:8]=2)[N:3]=1.[F:29][C:30]1[C:35](O)=[C:34]([F:37])[C:33]([F:38])=[C:32]([F:39])[C:31]=1[F:40]>CC(N(C)C)=O>[CH3:1][C:2]1[NH:11][C:10](=[O:12])[C:9]2[C:4](=[CH:5][C:6]3[CH2:15][CH2:14][C@H:13]([N:16]([C:20]4[CH:21]=[CH:22][C:23]([C:24]([O:26][C:35]5[C:34]([F:37])=[C:33]([F:38])[C:32]([F:39])=[C:31]([F:40])[C:30]=5[F:29])=[O:25])=[CH:27][CH:28]=4)[CH2:17][C:18]#[CH:19])[C:7]=3[CH:8]=2)[N:3]=1 | 1 |
[CH:1]([NH:3][C:4]1[S:5][CH:6]=[C:7]([C:9](=[N:13][O:14][CH2:15][CH:16]([CH3:18])[CH3:17])[C:10]([OH:12])=O)[N:8]=1)=[O:2].CN(C)C=O.P(Cl)(Cl)(Cl)=O.[NH2:29][CH:30]1[C:50](=[O:51])[N:32]2[C:33]([C:37]([O:39][CH2:40][C:41]3[CH:46]=[CH:45][C:44]([N+:47]([O-:49])=[O:48])=[CH:43][CH:42]=3)=[O:38])=[CH:34][CH2:35][S:36][C@H:31]12>O.CC(C)=O.O1CCCC1>[CH:1]([NH:3][C:4]1[S:5][CH:6]=[C:7]([C:9](=[N:13][O:14][CH2:15][CH:16]([CH3:18])[CH3:17])[C:10]([NH:29][CH:30]2[C:50](=[O:51])[N:32]3[C:33]([C:37]([O:39][CH2:40][C:41]4[CH:42]=[CH:43][C:44]([N+:47]([O-:49])=[O:48])=[CH:45][CH:46]=4)=[O:38])=[CH:34][CH2:35][S:36][C@H:31]23)=[O:12])[N:8]=1)=[O:2] | 1 |
N1=CC=NC=C1.COC=1C=C2CCC(OC2=CC1)O>O.C1CCCO1.Cl.C(CCC)[Li].CCCCCC.CC1(NC(CCC1)(C)C)C>OC(CCC1=C(C=CC(=C1)OC)O)C1=NC=CN=C1 | 3 |
[N:1]1([C:6]2([C:10]#[N:11])[CH2:9][CH2:8][CH2:7]2)[CH2:5][CH2:4][CH2:3][CH2:2]1.[C:12]1([Li])[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1>>[C:12]1([CH:10]([NH2:11])[C:6]2([N:1]3[CH2:5][CH2:4][CH2:3][CH2:2]3)[CH2:7][CH2:8][CH2:9]2)[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1 | 1 |
[CH:1]1[C:14]2[C:5](=[CH:6][C:7]3[C:12]([C:13]=2[C:15]2[C:20]4=[CH:21][CH:22]=[C:23]5[C:32]([CH:31]=[C:30]6[C:25]([CH:26]=[CH:27][CH:28]=[CH:29]6)=[CH:24]5)=[C:19]4[CH:18]=[CH:17][CH:16]=2)=[CH:11][CH:10]=[CH:9][CH:8]=3)[CH:4]=[CH:3][CH:2]=1.C1C(=O)N([Br:40])C(=O)C1.O>C(Cl)(Cl)Cl.[Fe](Cl)(Cl)Cl>[Br:40][C:6]1[C:5]2[C:14](=[CH:1][CH:2]=[CH:3][CH:4]=2)[C:13]([C:15]2[C:20]3=[CH:21][CH:22]=[C:23]4[C:32]([CH:31]=[C:30]5[C:25]([CH:26]=[CH:27][CH:28]=[CH:29]5)=[CH:24]4)=[C:19]3[CH:18]=[CH:17][CH:16]=2)=[C:12]2[C:7]=1[CH:8]=[CH:9][CH:10]=[CH:11]2 | 2 |
C(C)(C)(C)OC(=O)N1[C@@H](CC(C1)COC)C(=O)O>O.C(C)(=O)OCC.B#B>OC[C@H]1N(CC(C1)COC)C(=O)OC(C)(C)C | 3 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[C:9]([CH2:12][OH:13])[CH:10]=2)[N:5]=[C:4]([N:14]2[CH2:20][C:19]3[CH:21]=[CH:22][CH:23]=[CH:24][C:18]=3[S:17](=[O:26])(=[O:25])[CH2:16][CH2:15]2)[CH:3]=1.[NH2:27][CH2:28][C:29]1([NH2:33])[CH2:32][O:31][CH2:30]1>>[NH2:33][C:29]1([CH2:28][NH:27][C:2]2[C:11]3[C:6](=[CH:7][CH:8]=[C:9]([CH2:12][OH:13])[CH:10]=3)[N:5]=[C:4]([N:14]3[CH2:20][C:19]4[CH:21]=[CH:22][CH:23]=[CH:24][C:18]=4[S:17](=[O:26])(=[O:25])[CH2:16][CH2:15]3)[CH:3]=2)[CH2:32][O:31][CH2:30]1 | 1 |
I[C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4]([C:10]([F:13])([F:12])[F:11])[CH:3]=1.[CH:14]12[CH2:20][CH:17]([CH:18]=[CH:19]1)[C:16](=[O:21])[NH:15]2.CNCCNC.P([O-])([O-])([O-])=O.[K+].[K+].[K+]>C1(C)C=CC=CC=1.[Cu](I)I>[O:21]=[C:16]1[CH:17]2[CH2:20][CH:14]([CH:19]=[CH:18]2)[N:15]1[C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4]([C:10]([F:13])([F:12])[F:11])[CH:3]=1 | 2 |
C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=NC=CC(=C1)[N+](=O)[O-]>[HH].C(C)(=O)OCC.[Pd]>C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=NC=CC(=C1)N | 3 |
[NH:1]1[CH2:8][CH2:7][CH2:6][C@H:2]1[C:3]([OH:5])=[O:4].[Cl:9]([O-:13])(=[O:12])(=[O:11])=[O:10].CS[C:16]1[S:20][CH:19]=[CH:18][S+:17]=1>O1CCCC1>[Cl:9]([O-:13])(=[O:12])(=[O:11])=[O:10].[S:17]1[CH:18]=[CH:19][S:20][C:16]1=[N+:1]1[CH2:8][CH2:7][CH2:6][CH:2]1[C:3]([OH:5])=[O:4] | 1 |
Br[CH:2]([C:12]1[CH:17]=[CH:16][C:15]([S:18]([CH3:21])(=[O:20])=[O:19])=[CH:14][CH:13]=1)[C:3]([C:5]1[CH:10]=[CH:9][C:8]([F:11])=[CH:7][CH:6]=1)=O.[CH2:22]([NH:25][C:26]([NH2:28])=[S:27])[CH2:23][CH3:24]>C(O)C>[F:11][C:8]1[CH:9]=[CH:10][C:5]([C:3]2[N:28]=[C:26]([NH:25][CH2:22][CH2:23][CH3:24])[S:27][C:2]=2[C:12]2[CH:17]=[CH:16][C:15]([S:18]([CH3:21])(=[O:20])=[O:19])=[CH:14][CH:13]=2)=[CH:6][CH:7]=1 | 1 |
C(C)(C)(C)OC(N[C@@H](C(C)C)C(=O)N1[C@@H](C2=CC=CC=C2CC1)C(NC1=C(C=CC=C1F)Cl)=O)=O>>FC(C(=O)O)(F)F.ClC1=C(C(=CC=C1)F)NC(=O)[C@H]1N(CCC2=CC=CC=C12)C([C@H](C(C)C)N)=O | 5 |
O1CCCC1.[C:6]([CH2:9][CH2:10][C:11](=[N:22][NH:23][C:24]([NH:26][C:27]1[CH:32]=[CH:31][C:30]([O:33][C:34]([F:37])([F:36])[F:35])=[CH:29][CH:28]=1)=[O:25])[C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([C:18]([F:21])([F:20])[F:19])[CH:13]=1)(=[O:8])[NH2:7].C([BH3-])#N.[Na+].Cl>CO>[C:6]([CH2:9][CH2:10][CH:11]([NH:22][NH:23][C:24]([NH:26][C:27]1[CH:28]=[CH:29][C:30]([O:33][C:34]([F:35])([F:36])[F:37])=[CH:31][CH:32]=1)=[O:25])[C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([C:18]([F:21])([F:20])[F:19])[CH:13]=1)(=[O:8])[NH2:7] | 1 |
ClC1=CC=C(C=C1)B(O)O.ClC1=NC=NC(=C1C1=CC=CC=C1)Cl>C1(=CC=CC=C1)C.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=NC=NC(=C1C1=CC=CC=C1)C1=CC=C(C=C1)Cl | 3 |
[CH2:1]([C:4]1[C:13]2[O:12][C:11]([CH2:21][CH2:22][C:23]([O:25][CH2:26][CH3:27])=[O:24])([CH2:14][CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17])[CH2:10][CH2:9][C:8]=2[CH:7]=[CH:6][C:5]=1[OH:28])[CH2:2][CH3:3].Br[CH2:30][CH2:31][CH2:32][O:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[O:33]([CH2:32][CH2:31][CH2:30][O:28][C:5]1[CH:6]=[CH:7][C:8]2[CH2:9][CH2:10][C:11]([CH2:14][CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17])([CH2:21][CH2:22][C:23]([O:25][CH2:26][CH3:27])=[O:24])[O:12][C:13]=2[C:4]=1[CH2:1][CH2:2][CH3:3])[C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1 | 1 |
OC(C(C)[N+](=O)[O-])C=1C=CC2=C(N(CC3=C(N2C(=O)OC(C)(C)C)N=CC=C3)C(=O)OC(C)(C)C)C1>CCO[H].Cl.[OH-].[Na+].[Zn]>NC(C(O)C=1C=CC2=C(N(CC3=C(N2C(=O)OC(C)(C)C)N=CC=C3)C(=O)OC(C)(C)C)C1)C | 3 |
[CH2:1]([N:8]1[C:16]2[C:11](=[CH:12][C:13]([NH2:18])=[CH:14][C:15]=2[CH3:17])[CH:10]=[CH:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl[C:20]1[N:29]=[CH:28][C:27]([CH:30]2[CH2:32][CH2:31]2)=[CH:26][C:21]=1[C:22]([O:24][CH3:25])=[O:23].C(=O)([O-])[O-].[K+].[K+].C(OCCCC)(=O)C>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C1C=CC(P(C2C=CC3C(=CC=CC=3)C=2C2C3C(=CC=CC=3)C=CC=2P(C2C=CC=CC=2)C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.O.C(OCC)(=O)C>[CH2:1]([N:8]1[C:16]2[C:11](=[CH:12][C:13]([NH:18][C:20]3[N:29]=[CH:28][C:27]([CH:30]4[CH2:32][CH2:31]4)=[CH:26][C:21]=3[C:22]([O:24][CH3:25])=[O:23])=[CH:14][C:15]=2[CH3:17])[CH:10]=[CH:9]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 2 |
C1(CC1)NC=1C(=CC=C(C1)F)N.OC(C)(C)C=1C=C(C=NC1)C=O>>C1(CC1)N1C(=NC2=C1C=C(C=C2)F)C=2C=C(C=NC2)C(C)(C)O | 5 |
C([O:3][C:4]([NH:6][N:7]([CH:10]([CH3:12])[CH3:11])[C:8]#[N:9])=O)C.[NH:13]1[CH2:17][CH2:16][CH2:15][CH2:14]1>>[CH:10]([N:7]1[C:8]([N:13]2[CH2:17][CH2:16][CH2:15][CH2:14]2)=[N:9][C:4]([OH:3])=[N:6]1)([CH3:12])[CH3:11] | 1 |
BrC(C(C)=O)C.BrC=1C(=NC=C(C(=O)OC)C1)O>>BrC1=CC(=CN(C1=O)C(C)C(C)=O)C(=O)OC | 5 |
[S:1]1[CH:5]=[CH:4][N:3]2[CH:6]=[C:7]([C:9]3[CH:19]=[CH:18][CH:17]=[CH:16][C:10]=3[C:11]([O:13]CC)=[O:12])[N:8]=[C:2]12>Cl>[S:1]1[CH:5]=[CH:4][N:3]2[CH:6]=[C:7]([C:9]3[CH:19]=[CH:18][CH:17]=[CH:16][C:10]=3[C:11]([OH:13])=[O:12])[N:8]=[C:2]12 | 2 |
C(C1=CC=CC=C1)OC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)OC>C1CCCO1.[BH4-].[Li+]>OCC(CNC(OCC1=CC=CC=C1)=O)NC(OC(C)(C)C)=O | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([C@H:9]([OH:23])[C@@H:10]2[CH2:15][CH2:14][CH2:13][N:12]([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:11]2)[CH:5]=[CH:6][C:7]=1[F:8].[H-].[Na+].Br[CH2:27][C:28]#[N:29]>CC#N>[Cl:1][C:2]1[CH:3]=[C:4]([C@H:9]([O:23][CH2:27][C:28]#[N:29])[C@@H:10]2[CH2:15][CH2:14][CH2:13][N:12]([C:16]([O:18][C:19]([CH3:20])([CH3:22])[CH3:21])=[O:17])[CH2:11]2)[CH:5]=[CH:6][C:7]=1[F:8] | 1 |
[CH:1]([NH:4][CH:5]([CH3:7])[CH3:6])([CH3:3])[CH3:2].[CH3:8][C:9]1[CH:10]=[CH:11][C:12]2[O:17][C:16](=[O:18])[CH2:15][CH:14]([C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=3)[C:13]=2[CH:25]=1>>[CH:1]([N:4]([CH:5]([CH3:7])[CH3:6])[C:16](=[O:18])[CH2:15][CH:14]([C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)[C:13]1[CH:25]=[C:9]([CH3:8])[CH:10]=[CH:11][C:12]=1[OH:17])([CH3:3])[CH3:2] | 2 |
C(=O)(C)Cl.NC1=CC=C(C=C1)S(=O)(=O)NC=1SC(=NN1)C>>CC1=NN=C(S1)NS(=O)(=O)C1=CC=C(C=C1)NC(C)=O | 5 |
C[O:2][C:3](=[O:33])[CH2:4][O:5][C:6]1[CH:7]=[C:8]2[C:12](=[CH:13][CH:14]=1)[N:11]([S:15]([C:18]1[S:19][C:20]([C:23]3[CH:27]=[C:26]([C:28]([F:31])([F:30])[F:29])[N:25]([CH3:32])[N:24]=3)=[CH:21][CH:22]=1)(=[O:17])=[O:16])[CH:10]=[CH:9]2.[OH-].[K+].Cl>C1COCC1.O>[CH3:32][N:25]1[C:26]([C:28]([F:29])([F:30])[F:31])=[CH:27][C:23]([C:20]2[S:19][C:18]([S:15]([N:11]3[C:12]4[C:8](=[CH:7][C:6]([O:5][CH2:4][C:3]([OH:33])=[O:2])=[CH:14][CH:13]=4)[CH:9]=[CH:10]3)(=[O:17])=[O:16])=[CH:22][CH:21]=2)=[N:24]1 | 2 |
[H-].[Na+].[C:3]1([CH:9]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[N:10]2[CH2:13][C:12]([CH3:22])([CH2:14][NH:15][C:16](=[O:21])[C:17]([F:20])([F:19])[F:18])[CH2:11]2)[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.[CH2:29](I)[CH3:30]>O1CCOCC1.CN(C)C=O>[C:23]1([CH:9]([C:3]2[CH:4]=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:10]2[CH2:13][C:12]([CH3:22])([CH2:14][N:15]([C:16](=[O:21])[C:17]([F:18])([F:19])[F:20])[CH2:29][CH3:30])[CH2:11]2)[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1 | 1 |
[C:1]([O:4][CH2:5][CH2:6][CH2:7][N:8]1[C:13](=[O:14])[C:12]2[NH:15][C:16]([C:18]3[CH:23]=[CH:22][CH:21]=[C:20]([O:24][C:25]([F:28])([F:27])[F:26])[CH:19]=3)=[CH:17][C:11]=2[N:10]([CH3:29])[C:9]1=[O:30])(=[O:3])[CH3:2].[Br:31]Br>CC(O)=O.CC(=O)OCC.O>[C:1]([O:4][CH2:5][CH2:6][CH2:7][N:8]1[C:13](=[O:14])[C:12]2[NH:15][C:16]([C:18]3[CH:23]=[CH:22][CH:21]=[C:20]([O:24][C:25]([F:26])([F:27])[F:28])[CH:19]=3)=[C:17]([Br:31])[C:11]=2[N:10]([CH3:29])[C:9]1=[O:30])(=[O:3])[CH3:2] | 1 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[CH:7][C:6]([C:12](=[O:17])[CH2:13][CH:14]([CH3:16])[CH3:15])=[C:5]2Cl.[NH2:19][C@H:20]1[CH2:25][CH2:24][C@H:23]([NH:26][C:27](=[O:33])[O:28][C:29]([CH3:32])([CH3:31])[CH3:30])[CH2:22][CH2:21]1>>[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[CH:7][C:6]([C:12](=[O:17])[CH2:13][CH:14]([CH3:16])[CH3:15])=[C:5]2[NH:19][C@H:20]1[CH2:25][CH2:24][C@H:23]([NH:26][C:27](=[O:33])[O:28][C:29]([CH3:31])([CH3:30])[CH3:32])[CH2:22][CH2:21]1 | 1 |
BrC1=NC(=CC=C1)Br.N1N=CN=C1.[Na]>>BrC1=NC(=CC=C1)N1N=CN=C1 | 5 |
[CH3:1][O:2][C:3]([C:5]1([F:25])[C:14]([NH:15][C:16]2[CH:21]=[CH:20][C:19]([CH:22]=[CH2:23])=[CH:18][C:17]=2[F:24])=[CH:13][C:8]2=[N:9][CH2:10][N:11]([CH3:12])[C:7]2=[CH:6]1)=[O:4]>O1CCCC1.[Pd]>[CH3:1][O:2][C:3]([C:5]1([F:25])[C:14]([NH:15][C:16]2[CH:21]=[CH:20][C:19]([CH2:22][CH3:23])=[CH:18][C:17]=2[F:24])=[CH:13][C:8]2=[N:9][CH2:10][N:11]([CH3:12])[C:7]2=[CH:6]1)=[O:4] | 1 |
[CH3:1][C:2]1[CH:7]=CC(S(Cl)(=O)=O)=C[CH:3]=1.N1C=CC=CC=1.[Cl:18][C:19]1[N:27]=[C:26]([Cl:28])[C:25]([F:29])=[CH:24][C:20]=1[C:21]([OH:23])=[O:22].C(=O)([O-])O.[Na+]>C(O)(C)(C)C>[Cl:18][C:19]1[N:27]=[C:26]([Cl:28])[C:25]([F:29])=[CH:24][C:20]=1[C:21]([O:23][C:2]([CH3:7])([CH3:3])[CH3:1])=[O:22] | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.CN(C)C.N[C@H](C(=O)OC)CC1=C(C=C(C=C1)F)C#N>C1CCCO1.C1(=CC=NC=C1)N(C)C.ClCCl>C(C)(C)(C)OC(=O)N[C@H](C(=O)OC)CC1=C(C=C(C=C1)F)C#N | 3 |
CS(C)=O.C(Cl)(=O)C(Cl)=O.[CH2:11]([O:18][CH2:19][C@H:20]([CH:33]([CH3:35])[CH3:34])[CH2:21][C@H:22]([NH:25][C:26](=[O:32])[O:27][C:28]([CH3:31])([CH3:30])[CH3:29])[CH2:23][OH:24])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.C(N(CC)CC)C>C(Cl)Cl.O>[CH2:11]([O:18][CH2:19][C@H:20]([CH:33]([CH3:35])[CH3:34])[CH2:21][C@H:22]([NH:25][C:26](=[O:32])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH:23]=[O:24])[C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=1 | 1 |
CN1CCN(CC1)C1=NC=CC(=C1)B1OC(C(O1)(C)C)(C)C.BrC=1C=C2C(CCNC2=NC1)OC1=CC(=CC=C1)Cl>>ClC=1C=C(OC2CCNC3=NC=C(C=C23)C2=CC(=NC=C2)N2CCN(CC2)C)C=CC1 | 3 |
ClC1=NC=2N(C(=C1)Cl)N=C(C2CC2=CC=CC1=CC=CC=C21)C>C1CCCO1.[OH-].[Na+]>CC1=NN2C(N=C(C=C2N2CCOCC2)N2CCOCC2)=C1CC1=CC=CC2=CC=CC=C12 | 3 |
[NH:1]1[CH2:6][CH2:5][CH:4]([NH:7][C:8](=[O:14])[O:9][C:10]([CH3:13])([CH3:12])[CH3:11])[CH2:3][CH2:2]1.Br[C:16]1[CH:25]=[CH:24][C:19]([C:20]([O:22][CH3:23])=[O:21])=[CH:18][CH:17]=1.C([O-])([O-])=O.[Cs+].[Cs+].CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC1=2>C(OCC)(=O)C.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].O1CCOCC1>[C:10]([O:9][C:8]([NH:7][CH:4]1[CH2:3][CH2:2][N:1]([C:16]2[CH:25]=[CH:24][C:19]([C:20]([O:22][CH3:23])=[O:21])=[CH:18][CH:17]=2)[CH2:6][CH2:5]1)=[O:14])([CH3:11])([CH3:13])[CH3:12] | 2 |
C1(=CC=CC=C1)C=O.COC1=CC(=NC=N1)N.C(C1=CC=CC=C1)=NC1=NC=NC(=C1)OC>CO[H]>N1C=C(C2=CC=CC=C12)C(C(C1=CC=CC=C1)NC1=NC=NC(=C1)OC)=O | 3 |
C(C)(C)(C)OC(=O)NCC=1C=NC(=CC1)\C=C\C1CCCCC1>>NCC=1C=NC(=CC1)\C=C\C1CCCCC1 | 5 |
[C:1]([O:5][C:6](=[O:15])[CH2:7]/[N:8]=[CH:9]/[CH2:10][C:11]([CH3:14])([CH3:13])[CH3:12])([CH3:4])([CH3:3])[CH3:2].[Cl:16][C:17]1[CH:18]=[C:19](/[CH:24]=[C:25](/[C:28]2[CH:33]=[CH:32][C:31]([Cl:34])=[CH:30][C:29]=2[F:35])\[C:26]#[N:27])[CH:20]=[CH:21][C:22]=1[F:23].C(N(CC)CC)C>ClCCl>[C:1]([O:5][C:6]([CH:7]1[CH:24]([C:19]2[CH:20]=[CH:21][C:22]([F:23])=[C:17]([Cl:16])[CH:18]=2)[C:25]([C:28]2[CH:33]=[CH:32][C:31]([Cl:34])=[CH:30][C:29]=2[F:35])([C:26]#[N:27])[CH:9]([CH2:10][C:11]([CH3:14])([CH3:13])[CH3:12])[NH:8]1)=[O:15])([CH3:4])([CH3:3])[CH3:2] | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH2:11][C:12]#[N:13])[CH:6]=[CH:7][C:8]=1[O:9][CH3:10].[Cl:14][C:15]1[CH:16]=[C:17]([CH:20]=[CH:21][CH:22]=1)[CH:18]=O.[OH-].[Na+]>C(O)C>[C:12]([C:11](=[CH:18][C:17]1[CH:20]=[CH:21][CH:22]=[C:15]([Cl:14])[CH:16]=1)[C:5]1[CH:6]=[CH:7][C:8]([O:9][CH3:10])=[C:3]([O:2][CH3:1])[CH:4]=1)#[N:13] | 1 |
NC1=CC(=C(C(=N1)C1=C(C=C2C(=NC=NC2=C1)N1CCN(CC1)C(=O)OC(C)(C)C)Cl)C(F)(F)F)C>O.CCO[H].[OH-].[Na+]>NC1=CC(=C(C(=N1)C1=C(C=C2C(=NC=NC2=C1)O)Cl)C(F)(F)F)C | 3 |
[Br-].C[Mg+].C(#N)C1=C(C=CC=C1)C1=CC(=C(C=C1)CC=1C(N(C=2N(C1CCC)N=CC2)[C@@H]2CC[C@H](CC2)OCC(=O)N(C)OC)=O)F>C1CCCO1>FC=1C=C(C=CC1CC=1C(N(C=2N(C1CCC)N=CC2)[C@@H]2CC[C@H](CC2)OCC(C)O)=O)C=2C(=CC=CC2)C#N | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.ClCCCN1C[C@@H](NC[C@H]1C)C>>C(C)(C)(C)OC(=O)N1[C@H](CN([C@@H](C1)C)CCCCl)C | 5 |
Cl[C:2]1[C:3]2[C:4](=[N:8][N:9]([CH2:11][C:12]3[CH:17]=[CH:16][C:15]([CH2:18][N:19]4[CH:24]=[CH:23][CH:22]=[CH:21][C:20]4=[O:25])=[CH:14][CH:13]=3)[CH:10]=2)[N:5]=[CH:6][N:7]=1.[NH3:26]>>[NH2:26][C:2]1[C:3]2[C:4](=[N:8][N:9]([CH2:11][C:12]3[CH:17]=[CH:16][C:15]([CH2:18][N:19]4[CH:24]=[CH:23][CH:22]=[CH:21][C:20]4=[O:25])=[CH:14][CH:13]=3)[CH:10]=2)[N:5]=[CH:6][N:7]=1 | 2 |
[N:1]1[NH:2][C:3](=[O:10])[N:4]2[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=12.[OH-].[Na+].CC1N2C(=O)NN=C2C=CC=1.[Na:24]>O>[N:1]1[NH:2][C:3](=[O:10])[N:4]2[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=12.[Na:24] | 1 |
CC1(CC1)CO>CC#N.C(C)OCC.c3c(P(c1ccccc1)c2ccccc2)cccc3.c1cnc[nH]1.II.CCCCCC>ICC1(CC1)C | 3 |
C(C)(C)(C)OC(NCC1=CC=C(C=C1)NC=C1C(NC2=CC(=CC=C12)C(C1=CC(=CC=C1)NC(=O)C=1N(N=C(C1)C)C)=O)=O)=O>>NCC1=CC=C(C=C1)NC=C1C(NC2=CC(=CC=C12)C(=O)C=1C=C(C=CC1)NC(=O)C=1N(N=C(C1)C)C)=O | 5 |
C1(=CC=CC=C1)B(O)O.C(C)(=O)OC1=CC(=C(C2=CC(=CC=C12)OC)C1=CC=C(C=C1)Br)C(=O)OC>C([O-])([O-])=O.[Na+].[Na+].COCCOC>C1(=CC=C(C=C1)C1=C(C=C(C2=CC=C(C=C12)OC)OC(C)=O)C(=O)OC)C1=CC=CC=C1 | 3 |
[OH:1][C:2]1[C:3](C)=[CH:4][C:5]2[C:6](=[O:16])[C:7]3[C:12]([O:13][C:14]=2[CH:15]=1)=[CH:11][CH:10]=[CH:9][CH:8]=3.[C:18](=[O:21])([O-])[O-:19].[K+].[K+].Br[CH2:25][C:26](OCC)=O.[OH-].[Na+].Cl>O.CN(C=O)C>[CH3:25][CH:26]([O:1][C:2]1[CH:3]=[CH:4][C:5]2[C:6](=[O:16])[C:7]3[C:12]([O:13][C:14]=2[CH:15]=1)=[CH:11][CH:10]=[CH:9][CH:8]=3)[C:18]([OH:19])=[O:21] | 1 |
ClC1=C(OCC2CN(C2)C(=O)OC(C)(C)C)C=CC(=C1)C(F)(F)F>ClCCl.C(=O)(C(F)(F)F)O>ClC1=C(OCC2CNC2)C=CC(=C1)C(F)(F)F | 3 |
[CH3:1][C:2]([O:9][CH2:10][CH3:11])([O:6]CC)OCC.C1N=CN(C([N:19]2[CH:23]=NC=C2)=O)C=1>CC(OC(C)=O)=O>[CH2:10]([O:9][C:2](=[O:6])/[C:1](/[C:23]#[N:19])=[C:2](\[O:9][CH2:10][CH3:11])/[CH3:1])[CH3:11] | 1 |
NC1=C(C(=CC=C1)C1=C2C(=NC=C1)NC(=N2)C=2C=NN(C2)C)CO.C(C)(C)(C)C1=NC(=NO1)C(=O)OCC>C1(=CC=CC=C1)C.C[Al](C)C>C(C)(C)(C)C1=NC(=NO1)C(=O)NC1=C(C(=CC=C1)C1=C2C(=NC=C1)NC(=N2)C=2C=NN(C2)C)CO | 3 |
C(C1=CC=CC=C1)S.N12C[C@H](C(CC1)CC2)OS(=O)(=O)C>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)S[C@H]1CN2CCC1CC2 | 3 |
COC=1C=CC=2N(C1)N=C(C2CC=2C=C(C(=O)OCC)C=C(C2)[N+](=O)[O-])C2=CC=CC=C2>>NC=1C=C(C(=O)OCC)C=C(C1)CC=1C(=NN2C1C=CC(=C2)OC)C2=CC=CC=C2 | 5 |
N1CCNCC1.BrC=1N=C(C(=NC1)N(C(OC(C)(C)C)=O)C(=O)OC(C)(C)C)C#C[Si](C)(C)C>>C(C)(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C1=NC=C(N=C1C#C[Si](C)(C)C)N1CCNCC1 | 5 |
COC=1C=C2CCN(C(C2=CC1)=O)[C@@H]1CC2=CC=C(C=C2CC1)CN1CCC(CC1)OC>C([O-])([O-])=O.[K+].[K+].CN1C(CCC1)=O.C1(=CC=CC=C1)S>OC=1C=C2CCN(C(C2=CC1)=O)[C@@H]1CC2=CC=C(C=C2CC1)CN1CCC(CC1)OC | 3 |
[CH3:1][C:2]1[C:7]([C:8]2[CH:16]=[CH:15][C:14]([O:17]C)=[C:13]3[C:9]=2[CH:10]=[CH:11][NH:12]3)=[C:6]([CH3:19])[N:5]=[CH:4][N:3]=1.CC1C=C(O)C=CC=1N1C2C=CN=CC=2N=C1C>>[CH3:1][C:2]1[C:7]([C:8]2[CH:16]=[CH:15][C:14]([OH:17])=[C:13]3[C:9]=2[CH:10]=[CH:11][NH:12]3)=[C:6]([CH3:19])[N:5]=[CH:4][N:3]=1 | 2 |
C1(=CC=CC=C1)[Mg]Br.O=C1NCC(C12CCN(CC2)C2(CCCCC2)C#N)C2=CC=CC=C2>C1CCCO1>C1(=CC=CC=C1)C1CNC(C12CCN(CC2)C2(CCCCC2)C2=CC=CC=C2)=O | 3 |
CC=1C=C(C=O)C=CC1.N1(CCOCC1)C1=CC(=NC=2N1N=C(C2)C=2C=NC=NC2)NN>>CC=1C=C(C=NNC2=NC=3N(C(=C2)N2CCOCC2)N=C(C3)C=3C=NC=NC3)C=CC1 | 5 |
Br[C:2]1[C:10]2[N:9]3[CH2:11][CH2:12][CH2:13][NH:14][C:15](=[O:16])[C:8]3=[CH:7][C:6]=2[CH:5]=[C:4]([CH3:17])[CH:3]=1.[Cl:18][C:19]1[CH:24]=[CH:23][C:22](B(O)O)=[CH:21][CH:20]=1>>[Cl:18][C:19]1[CH:24]=[CH:23][C:22]([C:2]2[C:10]3[N:9]4[CH2:11][CH2:12][CH2:13][NH:14][C:15](=[O:16])[C:8]4=[CH:7][C:6]=3[CH:5]=[C:4]([CH3:17])[CH:3]=2)=[CH:21][CH:20]=1 | 1 |
[C:1]([C:3]1[C:4](F)=[CH:5][C:6](F)=[C:7]([NH:9][C:10]2[N:15]=[C:14]([NH:16][CH:17]3[CH2:19][CH2:18]3)[C:13]3=[N:20][CH:21]=[C:22]([C:23]#[N:24])[N:12]3[N:11]=2)[CH:8]=1)#[N:2].[O:27]1[CH2:32][CH2:31][N:30]([CH2:33][CH2:34][OH:35])[CH2:29][CH2:28]1>>[C:1]([C:3]1[C:4]([O:35][CH2:34][CH2:33][N:30]2[CH2:31][CH2:32][O:27][CH2:28][CH2:29]2)=[CH:5][C:6]([O:35][CH2:34][CH2:33][N:30]2[CH2:31][CH2:32][O:27][CH2:28][CH2:29]2)=[C:7]([NH:9][C:10]2[N:15]=[C:14]([NH:16][CH:17]3[CH2:19][CH2:18]3)[C:13]3=[N:20][CH:21]=[C:22]([C:23]#[N:24])[N:12]3[N:11]=2)[CH:8]=1)#[N:2] | 1 |
[CH3:1][C:2]1[C:10]2[C:5](=[N:6][CH:7]=[C:8]([C:11]3[CH:12]=[C:13]([CH:15]=[CH:16][CH:17]=3)[NH2:14])[CH:9]=2)[NH:4][CH:3]=1.C(NCC)C.CCN=C=NCCCN(C)C.Cl.Cl.[CH3:36][N:37]([CH3:44])[CH2:38]/[CH:39]=[CH:40]/[C:41](O)=[O:42]>C1COCC1.CN(C=O)C.O>[CH3:36][N:37]([CH3:44])[CH2:38]/[CH:39]=[CH:40]/[C:41]([NH:14][C:13]1[CH:15]=[CH:16][CH:17]=[C:11]([C:8]2[CH:9]=[C:10]3[C:2]([CH3:1])=[CH:3][NH:4][C:5]3=[N:6][CH:7]=2)[CH:12]=1)=[O:42] | 1 |
C(C)(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C=1C(=NC=C(C1)F)C>O.Br.N(=O)[O-].[Na+].[Cu]Br>BrC=1C(=NC=C(C1)F)C | 3 |
C(C)(C)(C)OC(=O)N[C@H](C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N([C@H](C)C1=C(C(=CC=C1)F)F)CC1=CC=C(C(=O)OC)C=C1)C(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>N[C@H](C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N([C@H](C)C1=C(C(=CC=C1)F)F)CC1=CC=C(C(=O)OC)C=C1)C(C)(C)C | 3 |
BrC1=CC2=C(N=C(S2)NC2=NC(=NC=C2)SC)C=C1>>BrC1=CC2=C(N=C(S2)NC2=NC(=NC=C2)S(=O)(=O)C)C=C1 | 5 |
[NH:1]1[CH2:6][CH2:5][NH:4][CH2:3][CH2:2]1.Cl[C:8]1[CH:13]=[N:12][CH:11]=[CH:10][N:9]=1.[OH-].[Na+]>>[N:1]1[CH:6]=[CH:5][N:4]=[CH:3][C:2]=1[N:9]1[CH2:10][CH2:11][NH:12][CH2:13][CH2:8]1 | 1 |
Cl[C:2]1[N:3]=[C:4]([NH:21][C:22]2[C:27]([C:28](N)=[O:29])=[C:26]([F:31])[C:25]([F:32])=[CH:24][CH:23]=2)[C:5]2[CH:10]=[CH:9][N:8]([S:11]([C:14]3[CH:19]=[CH:18][C:17]([CH3:20])=[CH:16][CH:15]=3)(=[O:13])=[O:12])[C:6]=2[N:7]=1.[CH3:33][N:34]([CH2:36][C:37]([N:39]1[C:48]2[C:43](=[CH:44][C:45]([O:50][CH3:51])=[C:46]([NH2:49])[CH:47]=2)[CH2:42][CH2:41][CH2:40]1)=[O:38])[CH3:35].Cl.O1CCOCC1.[I-].[K+]>FC(F)(F)CO.ClCCl.C(=O)(O)[O-].[Na+]>[CH3:35][N:34]([CH3:33])[CH2:36][C:37]([N:39]1[C:48]2[C:43](=[CH:44][C:45]([O:50][CH3:51])=[C:46]([NH:49][C:2]3[N:3]4[C:4](=[N:21][C:22]5[C:27]([C:28]4=[O:29])=[C:26]([F:31])[C:25]([F:32])=[CH:24][CH:23]=5)[C:5]4[CH:10]=[CH:9][N:8]([S:11]([C:14]5[CH:19]=[CH:18][C:17]([CH3:20])=[CH:16][CH:15]=5)(=[O:13])=[O:12])[C:6]=4[N:7]=3)[CH:47]=2)[CH2:42][CH2:41][CH2:40]1)=[O:38] | 1 |
COC(=O)C1=CC2=C(N=NN2CC)C=C1>C1CCCO1.CO[H].[BH4-].[Li+]>C(C)N1N=NC2=C1C=C(C=C2)CO | 3 |
N=1N(N=CC1)C[C@H]1N(C([C@H]1NC(\C(\C=1N=C(SC1)NC(=O)OC(C)(C)C)=N/OC(C(=O)OC(C)(C)C)(C)C)=O)=O)S(=O)(=O)O>>N=1N(N=CC1)C[C@H]1N(C([C@H]1NC(\C(\C=1N=C(SC1)N)=N/OC(C(=O)O)(C)C)=O)=O)S(=O)(=O)O | 5 |
CC(C)([O-])C.[Na+:6].ClC1C=C2C(C=CC(C=CC3C=C([C@@H](OS(C)(=O)=O)CCC4C=CC=CC=4CC(O)C)C=CC=3)=N2)=CC=1.[CH3:44][C:45]([OH:84])([C:47]1[CH:48]=[CH:49][CH:50]=[CH:51][C:52]=1[CH2:53][CH2:54][C@@H:55]([S:75][CH2:76][C:77]1([CH2:80][C:81]([OH:83])=[O:82])[CH2:79][CH2:78]1)[C:56]1[CH:57]=[CH:58][CH:59]=[C:60](/[CH:62]=[CH:63]/[C:64]2[CH:65]=[CH:66][C:67]3[CH:68]=[CH:69][C:70]([Cl:74])=[CH:71][C:72]=3[N:73]=2)[CH:61]=1)[CH3:46]>SCC1(CC(O)=O)CC1.C1(C)C=CC=CC=1.O1CCCC1>[CH3:46][C:45]([OH:84])([C:47]1[CH:48]=[CH:49][CH:50]=[CH:51][C:52]=1[CH2:53][CH2:54][C@@H:55]([S:75][CH2:76][C:77]1([CH2:80][C:81]([O-:83])=[O:82])[CH2:78][CH2:79]1)[C:56]1[CH:57]=[CH:58][CH:59]=[C:60](/[CH:62]=[CH:63]/[C:64]2[CH:65]=[CH:66][C:67]3[CH:68]=[CH:69][C:70]([Cl:74])=[CH:71][C:72]=3[N:73]=2)[CH:61]=1)[CH3:44].[Na+:6] | 2 |
COC(C1=C(C=C(C(=C1)CC=C)Cl)NC(CC1=CC(=CC(=C1)C)C)=O)=O>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Na+]>C(C=C)C=1C=C2C(=C(C(NC2=CC1Cl)=O)C1=CC(=CC(=C1)C)C)O | 3 |
FC=1C=C(C(=C(C1)B1OC(C(O1)(C)C)(C)C)OC)\C=C\OC.BrC1=CN=C(S1)C1=CC(=C(C=C1)OC(C)C)Cl>>ClC=1C=C(C=CC1OC(C)C)C=1SC(=CN1)C1=C(C(=CC(=C1)F)\C=C\OC)OC | 5 |
COC1=CC=C(CCl)C=C1.[N+](=O)([O-])C=1C(=NNC1)C(=O)OCC>>C(C)OC(=O)C1=NN(C=C1[N+](=O)[O-])CC1=CC=C(C=C1)OC | 5 |
BrC=1C=C2C=CN=CC2=CC1>>Cl.BrC=1C=C2C=C[N+](=CC2=CC1)[O-] | 5 |
CC(CCC)N.C(C)(C)(C)OC(=O)NC1=C(C=CC=C1)NC(=O)C1=CC=C(S1)C(=O)O>>C(C)(C)(C)OC(NC1=C(C=CC=C1)NC(=O)C=1SC(=CC1)C(NC(CCC)C)=O)=O | 5 |
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