smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)(C)(C)OC(=O)NC1CNCC1.C1(CC1)N1C=C(C(C2=C(C(=C(C(=C12)F)F)F)F)=O)C(=O)O>CC#N.C1CCC2=NCCCN2CC1>NC1CN(CC1)C1=C(C(=C2C(C(=CN(C2=C1F)C1CC1)C(=O)O)=O)F)F | 3 |
COC=1C=C(C(=O)Cl)C=C(C1)OC.O1C=C(C=C1)C1=CC=CC=2N1N=C(N2)N>>O1C=C(C=C1)C1=CC=CC=2N1N=C(N2)NC(C2=CC(=CC(=C2)OC)OC)=O | 3 |
[F:1][C:2]1[CH:3]=[C:4]2[C:11]([C:12]3[N:13]=[N:14][C:15]4[C:20]([CH3:22])([CH3:21])[C:19](=[O:23])[NH:18][C:16]=4[N:17]=3)=[N:10][NH:9][C:5]2=[N:6][C:7]=1[CH3:8].C(=O)([O-])[O-].[Cs+].[Cs+].Br[CH2:31][C:32]1[CH:37]=[CH:36][CH:35]=[C:34]([Cl:38])[C:33]=1[F:39]>CN(C=O)C.C(OCC)(=O)C>[Cl:38][C:34]1[C:33]([F:39])=[C:32]([C... | 2 |
CC(CC1=CC=C(C=C1)OC)(C)N.C(C1=CC=CC=C1)OC=1C=CC(=C2C=CC(NC12)=O)C1OC1>>C(C1=CC=CC=C1)OC=1C=CC(=C2C=CC(NC12)=O)C(CNC(CC1=CC=C(C=C1)OC)(C)C)O | 5 |
N[C@](C(=O)OC)(CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C.[C@H](C)(CC)[C@@H](C(N[C@](CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)(C)C=1SC=C(N1)C(=O)O)=O)NC(OCC=C)=O>N(C)(C)C=O.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>[C@H](C)(CC)[C@@H](C(N[C@](CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)(C)C=1SC=C(N... | 3 |
FC=1C=C(C=CC1F)CCO.ClC1=NC(N2C(N(CCC2)C(=O)OC(C)(C)C)=C1)=O>>FC=1C=C(CCOC2=NC(N3C(N(CCC3)C(=O)OC(C)(C)C)=C2)=O)C=CC1F | 5 |
Cl[CH2:2][CH2:3][CH2:4][CH2:5][C:6]1([CH2:17][CH3:18])[C:14]2[C:9](=[CH:10][CH:11]=[C:12]([F:15])[CH:13]=2)[NH:8][C:7]1=[O:16].[F:19][C:20]1[CH:25]=[CH:24][C:23]([N:26]2[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]2)=[CH:22][CH:21]=1>>[CH2:17]([C:6]1([CH2:5][CH2:4][CH2:3][CH2:2][N:29]2[CH2:28][CH2:27][N:26]([C:23]3[CH:22]=[C... | 1 |
C(=C)C(=O)C.N1(CCCCC1)C=C1CCN(CC1)C(=O)OCC1=CC=CC=C1>CCO[H].C(C)(=O)O>O=C1C=CC2(CCN(CC2)C(=O)OCC2=CC=CC=C2)CC1 | 3 |
BrC=1N=C2N(C3=C(NC4=C2C=CC=C4)N=CC=C3)C1C1=CC=C(C=C1)C1(CCC1)NC(OC(C)(C)C)=O.OC=1C=C(C=CC1C)B(O)O>P(=O)([O-])([O-])[O-].[K+].[K+].[K+].CN(C=O)C.O.Cl[Pd]Cl.C(C)(C)(C)P(C1=CC=C(N(C)C)C=C1)C(C)(C)C>NC1(CCC1)C1=CC=C(C=C1)C1=C(N=C2N1C1=C(NC3=C2C=CC=C3)N=CC=C1)C=1C=CC(=C(C1)O)C | 3 |
[N:1]1[C:6]([C:7]2[CH:8]=[C:9](O)[CH:10]=[C:11]([OH:13])[CH:12]=2)=[N:5][C:4]([C:15]2[CH:16]=[C:17]([OH:22])[CH:18]=[C:19]([OH:21])[CH:20]=2)=[N:3][C:2]=1[C:23]1[CH:24]=[C:25]([OH:30])[CH:26]=[C:27]([OH:29])[CH:28]=1.Br[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[C:4... | 2 |
[CH2:1]([N:8]([CH2:16][CH2:17][C:18]1[CH:23]=[CH:22][C:21]([S:24]([C:27]2[CH:32]=[CH:31][C:30]([O:33]CC3C=CC=CC=3)=[C:29]([C:41]([NH:43][CH3:44])=[O:42])[CH:28]=2)(=[O:26])=[O:25])=[CH:20][CH:19]=1)[C:9](=[O:15])[O:10][C:11]([CH3:14])([CH3:13])[CH3:12])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H][H]>[Pd].CO>[CH2:1]([N:... | 2 |
[N+](=O)([O-])C=1C(=NC=CC1)CC(=O)OCC.O1COCOC1>C1=CC=CC=C1.C(C)(=O)O.N1CCCCC1>[N+](=O)([O-])C=1C(=NC=CC1)C(C(=O)OCC)=C | 3 |
NO.C(C)(=O)N1CC2(CC1)CC=1C=CC=C(C1C2)C(=O)OC>C1CCCO1.CO[H].[OH-].[Na+]>C(C)(=O)N1CC2(CC1)CC=1C=CC=C(C1C2)C(=O)NO | 3 |
[CH3:1][C:2]1[CH:26]=[C:25]([C:27]2[CH:32]=[CH:31][C:30](S(O)(=O)=O)=[CH:29][CH:28]=2)[C:5]2[CH:6]=[CH:7][C:8]3[C:13]([C:14]4[CH:19]=[CH:18][C:17](S(O)(=O)=O)=[CH:16][CH:15]=4)=[CH:12][C:11]([CH3:24])=[N:10][C:9]=3[C:4]=2[N:3]=1.[Na][Na]>>[CH3:1][C:2]1[CH:26]=[C:25]([C:27]2[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=2)[C:5]2... | 1 |
[OH:1][C:2]([CH3:35])([CH3:34])[CH2:3][C@@:4]1([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)[O:9][C:8](=[O:10])[N:7]([C@H:11]([C:13]2[CH:18]=[CH:17][C:16](B3OC(C)(C)C(C)(C)O3)=[CH:15][CH:14]=2)[CH3:12])[CH2:6][CH2:5]1.Br[C:37]1[CH:38]=[CH:39][C:40]2[N:41]([N:43]=[C:44]([CH3:46])[N:45]=2)[CH:42]=1>>[OH:1][C:2]([CH3:34... | 1 |
CCN(C(C)C)C(C)C.[F:10][C:11]([F:22])([F:21])[C:12]1[CH:20]=[CH:19][C:15]([C:16]([OH:18])=O)=[CH:14][CH:13]=1.C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C.Cl.[O:45]=[C:46]([N:63]1[CH2:68][CH2:67][NH:66][CH2:65][CH2:64]1)[CH2:47][NH:48][C:49]([C:51]1[CH:56]=[CH:55][C:54]([C:57]2[CH:62]=[CH:61][CH:60]=[CH:59][CH:58]=2)=[CH:53][CH... | 1 |
Cl.[Cl:2][C:3]1[CH:12]=[C:11]2[C:6]([C:7]([NH:13][C:14]3[CH:22]=[CH:21][C:17]([C:18](Cl)=[O:19])=[CH:16][CH:15]=3)=[CH:8][CH:9]=[N:10]2)=[CH:5][CH:4]=1.ClC1[CH:33]=[C:32]2C(C(NC3C=CC(C(O)=O)=CC=3)=[CH:29][CH:30]=[N:31]2)=CC=1>>[Cl:2][C:3]1[CH:12]=[C:11]2[C:6]([C:7]([NH:13][C:14]3[CH:22]=[CH:21][C:17]([C:18]([N:10]([CH2... | 1 |
COC(=O)C=1N=C(C2=CC(=CC=C2C1O)OC1=C(C=CC=C1)F)I>N(C)(C)C=O.ClCCl.[Cu+].[C-]#N>COC(=O)C=1N=C(C2=CC(=CC=C2C1O)OC1=C(C=CC=C1)F)C#N | 3 |
[CH3:1][O:2][C:3]([CH:5]1[CH2:14][C:13]2[N:12]=[C:11]([C:15]([F:18])([F:17])[F:16])[CH:10]=[CH:9][C:8]=2[C:7](=[O:19])[CH2:6]1)=[O:4].BrC(Cl)(Cl)Cl.N12CCCN=C1CCCCC2>C(Cl)Cl.C(OCC)(=O)C>[CH3:1][O:2][C:3]([C:5]1[CH:14]=[C:13]2[C:8]([CH:9]=[CH:10][C:11]([C:15]([F:18])([F:16])[F:17])=[N:12]2)=[C:7]([OH:19])[CH:6]=1)=[O:4] | 1 |
BrCC(=C)C.BrC1=C(C=CC(=C1)Cl)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC1=C(C=CC(=C1)Cl)OCC(=C)C | 3 |
NC1=NC=2C=CC=NC2C2=C1N=C(N2CC2(CCN(CC2)C(=O)OC(C)(C)C)O)CC>>Cl.Cl.NC1=NC=2C=CC=NC2C2=C1N=C(N2CC2(CCNCC2)O)CC | 5 |
[OH-].[Na+].[NH2:3][C:4]([CH3:8])([CH3:7])[CH2:5][OH:6].C(Cl)(Cl)Cl.C(C(CC)=[O:16])C.C(N(CC)CC)C.[C:26]1([CH3:32])[CH:31]=[CH:30]C=[CH:28][CH:27]=1>>[CH2:31]([C:26]1([CH2:27][CH3:28])[C:32](=[O:16])[O:6][CH2:5][C:4]([CH3:8])([CH3:7])[NH:3]1)[CH3:30] | 1 |
C([NH:4][C:5]1(C(OCC)=O)[CH2:9][CH:8]2[CH2:10][CH2:11][CH2:12][CH:13]=[C:7]2[S:6]1)(=O)C.[C:19]([O:29][CH2:30][CH3:31])(=[O:28])C=CC1C=CC=CC=1.N1CCCC1>[Pd].C1(C)C=C(C)C=C(C)C=1>[NH2:4][C:5]1[S:6][C:7]2[CH:13]=[CH:12][CH:11]=[CH:10][C:8]=2[C:9]=1[C:19]([O:29][CH2:30][CH3:31])=[O:28] | 1 |
[CH:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH:15][C:16]2[CH:24]=[CH:23][C:19]([C:20]([OH:22])=[O:21])=[CH:18][CH:17]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C(N1C=CN=C1)(N1C=CN=C1)=O.O[C:38]1[CH:39]=[N:40][CH:41]=[CH:42][CH:43]=1>[H-].[Na+].O1CCCC1>[CH:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]... | 1 |
[F:1][CH:2]([F:33])[C:3]1[CH:8]=[CH:7][C:6]([C:9]2[C:10]3[N:11]([N:15]=[C:16]([NH:18][C:19]4[CH:24]=[CH:23][C:22]([CH:25]5[CH2:30][CH2:29][NH:28][CH2:27][CH2:26]5)=[CH:21][CH:20]=4)[N:17]=3)[CH:12]=[CH:13][CH:14]=2)=[C:5]([O:31][CH3:32])[CH:4]=1.Cl[CH2:35][C:36]([N:38]([CH3:40])[CH3:39])=[O:37]>>[F:33][CH:2]([F:1])[C:3... | 1 |
[Cl:1][C:2]1[N:11]=[C:10](Cl)[C:9]([F:13])=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5].C[O-].[Na+].CO.O.[C:20](OCC)(=[O:22])C>CO>[Cl:1][C:2]1[N:11]=[C:10]([O:22][CH3:20])[C:9]([F:13])=[CH:8][C:3]=1[C:4]([O:6][CH3:7])=[O:5] | 1 |
C(NCCCC)CCC.C(NNC1C=CC(N=C=S)=CC=1)=O.[CH:23]([NH:25][NH:26][C:27]1[CH:32]=[CH:31][C:30]([NH:33][C:34]([N:36]([CH2:44][C:45]2C=CC=[CH:47][CH:46]=2)[CH2:37][C:38]2C=CC=[CH:40][CH:39]=2)=[S:35])=[CH:29][CH:28]=1)=[O:24]>>[CH:23]([NH:25][NH:26][C:27]1[CH:28]=[CH:29][C:30]([NH:33][C:34]([N:36]([CH2:44][CH2:45][CH2:46][CH3:... | 1 |
Br[C:2]1[CH:3]=[N:4][C:5]2[C:10]([CH:11]=1)=[CH:9][CH:8]=[CH:7][C:6]=2[N+:12]([O-:14])=[O:13].[N:15]12[CH2:23][CH2:22][CH:19]([CH2:20][CH2:21]1)[NH:18][CH2:17][CH2:16]2.C(=O)([O-])[O-].[Cs+].[Cs+].C1(P(C2C=CC=CC=2)C2C=CC3C(=CC=CC=3)C=2C2C3C(=CC=CC=3)C=CC=2P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>O1CCCC1.C1(C)C=CC=CC=1.C([O-... | 2 |
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]=[CH:2]1.C([Mg]Br)C.O1CCCC1.[CH3:19][C:20]1([CH3:28])[C:22]([CH3:24])([CH3:23])[CH:21]1[C:25](Cl)=[O:26]>ClCCl.[Cl-].[Cl-].[Zn+2]>[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]([C:25]([CH:21]2[C:22]([CH3:24])([CH3:23])[C:20]2([CH3:28])[CH3:19])=[O:26])=[CH:2]... | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([NH:10][C:11]2[N:16]=[CH:15][C:14]([N:17]3[CH2:22][CH2:21][N:20](C(OC(C)(C)C)=O)[CH2:19][CH2:18]3)=[CH:13][CH:12]=2)[C:5](=[O:9])[N:6]([CH3:8])[CH:7]=1>Cl.O1CCOCC1>[Br:1][C:2]1[CH:3]=[C:4]([NH:10][C:11]2[CH:12]=[CH:13][C:14]([N:17]3[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]3)=[CH:15][N:16]=2)[C:5]... | 1 |
[CH:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[O:13][N:12]=[C:11]([C:14]3[CH:15]=[CH:16][C:17]([O:22][CH:23]([CH3:25])[CH3:24])=[C:18]([CH:21]=3)[C:19]#[N:20])[N:10]=2)=[CH:5][CH:4]=1)=O.[NH:26]1[CH2:29][CH:28]([C:30]([OH:32])=[O:31])[CH2:27]1.C(O)(=O)C.C([BH3-])#N>CO.ClCCCl>[C:19]([C:18]1[CH:21]=[C:14]([C:11]2[N:10]=[C:9]([C:... | 1 |
S1C=CC=C1.CC1=C(C(=CC=C1)C)NC(CN1CCNCC1)=O.FC(C=1C=C(C(=O)N2C(CC(CC2)=O)CC2=CC(=CC(=C2)C(F)(F)F)F)C=C(C1)C(F)(F)F)(F)F>[HH].CC([O-])C.[Ti+4].CC([O-])C.CC([O-])C.CC([O-])C.CC(C)O.[Pt]>FC(C=1C=C(C(=O)N2[C@H](C[C@H](CC2)N2CCN(CC2)CC(=O)NC2=C(C=CC=C2C)C)CC2=CC(=CC(=C2)C(F)(F)F)F)C=C(C1)C(F)(F)F)(F)F.FC(C=1C=C(C(=O)N2[C@H](... | 3 |
[BH4-].[Na+].[CH2:3]([N:10]([CH2:29][C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)[C:11]([C@@:13]1([CH2:27][F:28])[CH2:17][C:16](=O)[N:15]([C@@H:19]([CH3:26])[C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[CH2:14]1)=O)[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.S(=O)(=O)(O)O.Cl.[OH-].[Na+]>O1CCCC1>[CH2:3]([N:10]([CH2:11]... | 1 |
C(N(CC)C(=O)[O:5][C:6]1[C:7]([C:32]#[N:33])=[N:8][CH:9]=[CH:10][C:11]=1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][NH:17][C:18]1[C:19]2[C:24]([N:25]=[C:26]3[C:31]=1[CH2:30][CH2:29][CH2:28][CH2:27]3)=[CH:23][CH:22]=[CH:21][CH:20]=2)C.[NH2:37][OH:38].Cl.N1C=CC=CC=1>C(O)C>[OH:38][N:37]=[C:32]([C:7]1[C:6]([OH:5])=[C:11]([CH2:... | 2 |
C(C)OC(=O)C1=NOC(=C1N)C1=CC=CC=C1.ClC1=CC=C(C=C1)NC(C1=CC=C(C=C1)C(C)C)=O>>ClC1=CC=C(C=C1)N1C(=NC=2C(C1=O)=NOC2C2=CC=CC=C2)C2=CC=C(C=C2)C(C)C | 5 |
[N+](=O)([O-])C1=C(C=CC=C1)N1CCN(CC1)C(=O)OC(C)(C)C>[HH].[Pd]>NC1=C(C=CC=C1)N1CCN(CC1)C(=O)OC(C)(C)C | 3 |
ClC1=C(OC2CN(CC2)C(=O)OC(C)(C)C)C=C(C=C1[N+](=O)[O-])C#N>CO[H].[HH].[Pd]>NC=1C(=C(OC2CN(CC2)C(=O)OC(C)(C)C)C=C(C1)C#N)Cl | 3 |
C(#N)NC1=CC=CC=C1>C(C)OCC.Cl>C1(=CC=CC=C1)NC=N | 3 |
FC(S(=O)(=O)O[Si](C)(C)C(C)(C)C)(F)F.FC1=CC=C(C=C1)C(CN1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=CN2)O>C1CCCO1.C1(=NC(=CC=C1)C)C>[Si](C)(C)(C(C)(C)C)OC(CN1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=CN2)C2=CC=C(C=C2)F | 3 |
[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[C:3]([NH:11][C:12](=[O:27])[C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=2[NH:19][CH2:20][C:21]2[CH:26]=[CH:25][N:24]=[CH:23][CH:22]=2)[N:2]=1.ClC1C=CC=C(C(OO)=[O:36])C=1>ClCCl>[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[C:3]([NH+:11]([O-:36])[C:12](=[... | 1 |
O=C1C(=C(C=NN1COCC[Si](C)(C)C)N1C(C2=CC=CC=C2C1)COC=1C=C(C(=O)OC)C=CC1)C(F)(F)F>O.C1CCCO1.Cl.[OH-].[Li+]>O=C1C(=C(C=NN1COCC[Si](C)(C)C)N1C(C2=CC=CC=C2C1)COC=1C=C(C(=O)O)C=CC1)C(F)(F)F | 3 |
[CH2:1]([O:3][C:4]([C:6]1[NH:7][C:8]2[C:13]([C:14]=1[C:15]([C:26]1[CH:31]=[CH:30][C:29]([O:32][CH:33]3[CH2:37][CH2:36][CH2:35][CH2:34]3)=[CH:28][CH:27]=1)=[C:16]([NH:22][C:23](=[O:25])[CH3:24])[C:17]([O:19][CH2:20][CH3:21])=[O:18])=[CH:12][C:11]([C:38]1[CH:43]=[CH:42][C:41]([C:44]([F:47])([F:46])[F:45])=[CH:40][CH:39]=... | 1 |
COC(C1=CC=C(C=C1)C(CC(=O)OCC1=CC=CC=C1)=O)=O>>COC(C1=CC=C(C=C1)C(C(Cl)C(=O)OCC1=CC=CC=C1)=O)=O | 5 |
[Br-].C[Mg+].C(C)(C)(C)OC(=O)N1[C@@H](C[C@@H](CC1)C1=C(C(=CC=C1OC)Cl)Cl)C(N(C)OC)=O>C1CCCO1.[Cl-].[NH4+]>C(C)(C)(C)OC(=O)N1[C@@H](C[C@@H](CC1)C1=C(C(=CC=C1OC)Cl)Cl)C(C)=O | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[C:12]([C:14]([F:17])([F:16])[F:15])[N:11]3[N:18]=[CH:19][C:20]([C:21]([OH:23])=O)=[C:10]3[N:9]=2)=[CH:4][CH:3]=1.[NH2:24][C:25]1[CH:26]=[C:27]([S:31]([NH:34][CH:35]2[CH2:37][CH2:36]2)(=[O:33])=[O:32])[CH:28]=[CH:29][CH:30]=1>>[CH:35]1([NH:34][S:31]([C:27]2[CH:26]=[C:25]([NH... | 1 |
[CH3:1][C@@H:2]1[CH2:7][CH2:6][C@@H:5]([CH:8]([CH3:10])[CH3:9])[C@H:4]([O:11][CH2:12][C:13]([OH:15])=O)[CH2:3]1.[CH2:16]([N:18]([CH2:24][CH3:25])[CH2:19][CH2:20][NH:21][CH2:22][CH3:23])[CH3:17].C1(N=C=NC2CCCCC2)CCCCC1>O1CCCC1>[CH2:16]([N:18]([CH2:24][CH3:25])[CH2:19][CH2:20][N:21]([CH2:22][CH3:23])[C:13](=[O:15])[CH2:1... | 1 |
C(C)OC(=O)C=1OC2=C(C1)C=C(C=C2C)C(CC)(CC)C2=CC(=C(C=C2)OCC(C(C)(C)C)=O)C>>C(C)OC(=O)C=1OC2=C(C1)C=C(C=C2C)C(CC)(CC)C2=CC(=C(C=C2)OCC2(OCCO2)C(C)(C)C)C | 5 |
[CH2:1]([O:3][CH2:4][C:5]1[N:6]([CH2:22][CH:23]([CH3:25])[CH3:24])[C:7]2[CH:12]=[C:11]([CH3:13])[N:10]=[C:9](OC3C=CC=CC=3)[C:8]=2[N:21]=1)[CH3:2].C([O-])(=O)C.[NH4+:30].C(OCC)C>C(OCC)(=O)C>[CH2:1]([O:3][CH2:4][C:5]1[N:6]([CH2:22][CH:23]([CH3:25])[CH3:24])[C:7]2[CH:12]=[C:11]([CH3:13])[N:10]=[C:9]([NH2:30])[C:8]=2[N:21]... | 1 |
C(N)(=O)C1=C(N=C(C(=N1)C1=CC=C(C=C1)B(O)O)C)C.ClC=1C(=CC(=C(C1)CC(=O)OCC)C)OS(=O)(=O)C(F)(F)F>CCO[H].C([O-])([O-])=O.[Na+].[Na+].[Cl-].[Li+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(N)(=O)C1=C(N=C(C(=N1)C1=CC=C(C=C1)C... | 3 |
[OH:1][CH:2]1[CH2:5][N:4]([C:6]([N:8]2[CH2:13][CH:12]([C:14]3[CH:19]=[CH:18][C:17]([O:20][C:21]([F:24])([F:23])[F:22])=[CH:16][CH:15]=3)[CH2:11][CH:10]([C:25](O)=[O:26])[CH2:9]2)=[O:7])[CH2:3]1.[CH2:28]([O:30][CH2:31][CH2:32][C:33](=[N:35]O)[NH2:34])[CH3:29]>>[CH2:28]([O:30][CH2:31][CH2:32][C:33]1[N:35]=[C:25]([CH:10]2... | 2 |
C([O:14][C:15]([C:17]1[N:18]2[CH:21]([S:22][CH2:23][C:24]=1[C:25]1[S:29][C:28]([C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=3)=[N:27][CH:26]=1)[CH:20]([NH:36]C(OC(C)(C)C)=O)[C:19]2=[O:44])=[O:16])(C1C=CC=CC=1)C1C=CC=CC=1.FC(F)(F)C(O)=O>>[NH2:36][CH:20]1[C:19](=[O:44])[N:18]2[CH:21]1[S:22][CH2:23][C:24]([C:25]1[S:29][C:... | 1 |
O[C:2]1[C:7]([C:8]([OH:10])=O)=[CH:6][N:5]=[CH:4][N:3]=1.[ClH:11].[CH3:12][NH:13][CH3:14].C(N(CC)CC)C.C(=O)(O)[O-].[Na+]>CN(C=O)C.S(Cl)(Cl)=O.C(Cl)Cl.O>[Cl:11][C:2]1[C:7]([C:8]([N:13]([CH3:14])[CH3:12])=[O:10])=[CH:6][N:5]=[CH:4][N:3]=1 | 1 |
C1(CCCC1)OC1=CC(=C(C(=C1)C)C(C)=O)C>>BrCC(=O)C1=C(C=C(C=C1C)OC1CCCC1)C | 5 |
C[Si]([N-][Si](C)(C)C)(C)C.[Li+].[C:11](#[N:13])[CH3:12].[NH:14]1[C:21]2[N:17]([N:18]=[CH:19][C:20]=2[CH:22]=[O:23])[CH2:16][CH2:15]1.O>O1CCCC1>[NH:14]1[C:21]2[N:17]([N:18]=[CH:19][C:20]=2[CH:22]([OH:23])[CH2:12][C:11]#[N:13])[CH2:16][CH2:15]1 | 2 |
C(C)(=O)OC(C)=O.BrC1=C(C=C(C=C1)N)S(=O)(=O)C(F)(F)F.BrC1=C(N)C=CC=C1S(=O)(=O)C(F)(F)F>CCO[H]>BrC1=C(C=C(C=C1)NC(C)=O)S(=O)(=O)C(F)(F)F | 3 |
C(C=C)(=O)OC.ClC=1C=C2C(=NC1)NC(C2)=O>CC(C)(C)[O-].[K+].O.CS(=O)C>ClC=1C=C2C(=NC1)NC(C21CC(C(CC1)=O)C(=O)OC)=O | 3 |
[S:1]1[CH:5]=[C:4]([C:6]([OH:8])=O)[CH:3]=[N:2]1.CN(C=O)C.C(Cl)(=O)C(Cl)=O.Cl.[CH3:21][O:22][NH:23][CH3:24].C([O-])([O-])=O.[K+].[K+]>C(Cl)Cl.O>[CH3:21][O:22][N:23]([CH3:24])[C:6]([C:4]1[CH:3]=[N:2][S:1][CH:5]=1)=[O:8] | 2 |
O1CC12CCSCC2.C(C)(=O)NC1=CC=C(C=C1C1=C(C=C(C=C1C)O)C)C(=O)OCC>>C(C)(=O)NC1=CC=C(C=C1C1=C(C=C(C=C1C)OCC1(CCSCC1)O)C)C(=O)OCC | 5 |
ClCC1=C(C(=CC=C1)OCCOC)OC>>COC1=C(C=CC=C1OCCOC)CC#N | 5 |
[O:1]([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[OH:14])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C([O-])([O-])=O.[K+].[K+].[Br:21][C:22]1[CH:42]=[CH:41][C:25]([CH2:26][N:27]2[C:31]([C:32](=[O:35])[CH2:33]Br)=[C:30]([CH2:36][CH3:37])[N:29]=[C:28]2[CH2:38][CH2:39][CH3:40])=[C:24]([F:43])[CH:23]=1.O>CC(C)=O>[Br:21][C:22]... | 1 |
[OH-].[K+].[C:3]([C:6]1[N:11]=[C:10]([C:12]2[CH:17]=[CH:16][C:15]([C:18]3[CH:23]=[CH:22][C:21]([CH2:24][C:25]([O:27]C)=[O:26])=[CH:20][C:19]=3[Cl:29])=[C:14]([Cl:30])[CH:13]=2)[C:9]([CH3:31])=[N:8][C:7]=1[CH3:32])(=[O:5])[NH2:4].Cl>C(O)(C)(C)C.C(O)C>[C:3]([C:6]1[N:11]=[C:10]([C:12]2[CH:17]=[CH:16][C:15]([C:18]3[CH:23]=... | 1 |
BrCCCBr.FC=1C=C(C#N)C=CC1O>>BrCCCOC1=C(C=C(C#N)C=C1)F | 5 |
CC1=C2C=C(C(NC2=CC=N1)=O)C(=O)N>O.O.NN.C(C)(=O)O>CC1=C2C=C(C(NC2=CC=N1)=O)C(=O)NN | 3 |
[Cl:1][CH2:2][CH2:3][CH:4]1[CH2:10][N:9]([CH3:11])[C:8](=[O:12])[C:7]2[CH:13]=[CH:14][CH:15]=[N:16][C:6]=2[S:5]1.[CH3:17][NH:18][CH3:19]>>[ClH:1].[ClH:1].[CH3:17][N:18]([CH3:19])[CH2:2][CH2:3][CH:4]1[CH2:10][N:9]([CH3:11])[C:8](=[O:12])[C:7]2[CH:13]=[CH:14][CH:15]=[N:16][C:6]=2[S:5]1 | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([C:17]2[CH:22]=[CH:21][C:20]([O:23][C:24]3[CH:29]=[CH:28][CH:27]=[C:26]([N+:30]([O-])=O)[CH:25]=3)=[CH:19][CH:18]=2)([C:13]([F:16])([F:15])[F:14])[C:9]([F:12])([F:11])[F:10])=[CH:4][CH:3]=1.[H][H].O.C>C(OCC)(=O)C.[Pd].Cl>[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([C:17]2[CH:22]=[CH:21][... | 1 |
FC1=C(C(=CC=C1)F)C>S(O)(O)(=O)=O.[N+](=O)(O)[O-]>FC1=C(C(=C(C=C1)[N+](=O)[O-])F)C | 3 |
C(C1=CC=CC=C1)Br.Cl.C1N(CCC2=CC=CC=C12)C=1N=CC=C2C1NC(=C2C)C>>Cl.C(C1=CC=CC=C1)N1C(=C(C=2C1=C(N=CC2)N2CC1=CC=CC=C1CC2)C)C | 5 |
BrCC1=NN(C(=C1)C1=CC(=CC=C1)OC)CC1=C(C=CC=C1)Cl.OC(C(=O)OC)(CC)C>C1CCCO1.[H-].[Na+].[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>ClC1=C(C=CC=C1)CN1N=C(C=C1C1=CC(=CC=C1)OC)COC(C(=O)OC)(CC)C | 3 |
BrCC(=O)NCC=1SC=C2C1CN(C2=O)[C@@H]2C(NC(CCC2)=O)=O.NCCCCNC(C[C@H]1C=2N(C3=C(C(=N1)C1=CC=C(C=C1)Cl)C(=C(S3)C)C)C(=NN2)C)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=CC=C(C=C1)C1=N[C@H](C=2N(C3=C1C(=C(S3)C)C)C(=NN2)C)CC(=O)NCCCCNCC(=O)NCC=2SC=C3C2CN(C3=O)[C@@H]3C(NC(CCC3)=O)=O | 3 |
ClCC=O.COC1=CC=C(C=C1)NC(=S)NC(OCC)=O>CC#N.O.C(=O)([O-])[O-].[Cs+].[Cs+]>COC1=CC=C(C=C1)N/C(/SCC=O)=N/C(OCC)=O | 3 |
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(OC1CCC[C:13]2[CH:17]=[C:18]([O:21][CH3:22])[CH:19]=[CH:20][C:12]=2[C:11]=1[CH2:23][CH3:24])(=O)=O.[CH3:33][O:34][C:35]1[CH:40]=[CH:39][C:38](B(O)O)=[CH:37][CH:36]=1.[C:44]1(C)[CH:49]=CC=[CH:46][CH:45]=1.C([O-])([O-])=O.[Na+].[Na+]>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(... | 2 |
[H-].[Na+].[CH3:3][O:4][C:5]1[N:10]=[C:9]2[CH:11]=[CH:12][NH:13][C:8]2=[CH:7][CH:6]=1.[Br:14][C:15]1[CH:22]=[CH:21][CH:20]=[CH:19][C:16]=1[CH2:17]Br>CN(C)C=O>[Br:14][C:15]1[CH:22]=[CH:21][CH:20]=[CH:19][C:16]=1[CH2:17][N:13]1[C:8]2[C:9](=[N:10][C:5]([O:4][CH3:3])=[CH:6][CH:7]=2)[CH:11]=[CH:12]1 | 1 |
C[C@]12C(C([C@H](CC1)C2(C)C)C(=O)Cl)=O.C(C)(C)(C)OC(=O)N(NC1=C(C=CC=C1)F)CC1=CC=CC=C1>>C(C1=CC=CC=C1)N1N(C(C=2[C@@H]3CC[C@](C12)(C3(C)C)C)=O)C3=C(C=CC=C3)F | 5 |
Cl[C:2]1[CH:7]=[C:6]([O:8][CH3:9])[N:5]=[C:4]([N:10](C)C)[N:3]=1.[CH3:13][N:14](C=O)C>CCOCC.[NH4+].[OH-].[C-]#N.[C-]#N.[Zn+2].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>[NH2:10][C:4]1[N:3]=[C:... | 1 |
Cl.OC1CNCCC1.BrCC(=O)C1=C(C=CC(=C1)Br)OCC1=CC=C(C=C1)C(=O)N1CCN(CC1)S(=O)(=O)C1=CC(=CC=C1)[N+](=O)[O-]>>BrC=1C=CC(=C(C1)C(CN1CC(CCC1)O)O)OCC1=CC=C(C=C1)C(=O)N1CCN(CC1)S(=O)(=O)C1=CC(=CC=C1)[N+](=O)[O-] | 5 |
[CH:1]([O:14][CH2:15][CH2:16][N:17]1[CH2:22][CH2:21][N:20](C(OCC)=O)[CH2:19][CH2:18]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.[OH-].[K+]>CO.O>[CH:1]([O:14][CH2:15][CH2:16][N:17]1[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]1)([C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1)[C:8]1[CH:9]... | 1 |
[F:1][C:2]([F:32])([F:31])[C:3]1[CH:4]=[C:5]([CH:28]=[CH:29][CH:30]=1)[O:6][CH2:7][C:8]1[S:9][C:10]2[C:16]([C:17]3[CH:18]=[C:19]([CH:25]=[CH:26][CH:27]=3)[C:20]([O:22]CC)=[O:21])=[CH:15][CH:14]=[CH:13][C:11]=2[CH:12]=1.[F:33][C:34]([F:62])([F:61])[C:35]1[CH:36]=[C:37]([CH:58]=[CH:59][CH:60]=1)[O:38][CH2:39][C:40]1[S:41... | 2 |
C(C)(C)(C)OC(NC1CN(CC1)C(=O)C=1N=C2N(C=C(C=C2C(F)(F)F)C2=COC=C2)C1Cl)=O>ClCCl.Cl.O1CCOCC1>Cl.NC1CN(CC1)C(=O)C=1N=C2N(C=C(C=C2C(F)(F)F)C2=COC=C2)C1Cl | 3 |
BrC=1C=C(C(=O)O)C=CC1C>>BrC=1C=C(C(=O)OC(C)(C)C)C=CC1C | 5 |
C(C)(C)(C)C=1C=C2C=CC3=CC=C(C4=CC=C(C1)C2=C43)C4=CC=CC=C4>>BrC1=CC(=C2C=CC3=CC(=CC4=CC=C1C2=C34)C(C)(C)C)C3=CC=CC=C3 | 5 |
C(C1=CC=CC=C1)NC([C@@H](COC(F)F)NC(OC(C)(C)C)=O)=O>>C(C)(=O)N[C@@H](C(=O)NCC1=CC=CC=C1)COC(F)F | 5 |
ClC=1C=C2C=3C=C(C=CC3C3=C(NC(=N3)C3=C(C#N)C=CC=C3C#N)C2=CC1)C#CC(C)(C)O>>ClC=1C=CC2=C(C1)C1=CC(=CC=C1C=1NC(=NC12)C1=C(C#N)C=CC=C1C#N)C#CC(=C)C | 5 |
C[O:2][C:3](=O)[C:4]([CH3:17])([CH3:16])[NH:5][C:6]1[C:11]([Cl:12])=[CH:10][CH:9]=[CH:8][C:7]=1[N+:13]([O-])=O.C([O-])(=O)C.[Na+].C(=O)(O)[O-].[Na+].S([O-])([O-])(=O)=O.[Mg+2]>[Cl-].[Cl-].[Cl-].[Ti+3].C(OCC)(=O)C.O.CO>[Cl:12][C:11]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:6]=1[NH:5][C:4]([CH3:17])([CH3:16])[C:3](=[O:2])[NH:13]2 | 1 |
C([NH:4][C:5]1[CH:10]=[C:9]([C:11]([CH3:14])([CH3:13])[CH3:12])[C:8]([O:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])=[CH:7][C:6]=1[OH:32])(=O)C.[ClH:33]>C(O)C>[ClH:33].[NH2:4][C:5]1[CH:10]=[C:9]([C:11]([CH3:14])([CH3:13])[CH3:12])[C... | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([NH2:12])[C:5](=[CH:10][CH:11]=1)[C:6]([O:8][CH3:9])=[O:7].N1C=CC=CC=1.[C:19]([CH2:23][CH2:24][C:25](Cl)=[O:26])([O:21][CH3:22])=[O:20]>C1C=CC=CC=1>[C:19]([CH2:23][CH2:24][C:25]([NH:12][C:4]1[C:5](=[CH:10][CH:11]=[C:2]([Cl:1])[CH:3]=1)[C:6]([O:8][CH3:9])=[O:7])=[O:26])([O:21][CH3:22])=[O:20] | 1 |
C1COCCN1.FC1=CC(=NC=C1)N>[Cu]I.O.C([O-])([O-])=O.[K+].[K+].CNCCNC>N1(CCOCC1)C1=CC(=NC=C1)N | 3 |
[NH2:1][CH2:2][CH2:3][NH2:4].S([O-])([O-])(=O)=O.CS[C:12]([NH2:24])=[NH+:13][CH2:14][CH2:15][S:16][CH2:17][C:18]1[N:19]=[CH:20][NH:21][C:22]=1[CH3:23].CS[C:27]([NH2:39])=[NH+:28][CH2:29][CH2:30][S:31][CH2:32][C:33]1[N:34]=[CH:35][NH:36][C:37]=1[CH3:38]>>[CH3:38][C:37]1[NH:36][CH:35]=[N:34][C:33]=1[CH2:32][S:31][CH2:30]... | 1 |
[NH2:1][C@H:2]([C:7]([N:9]1[CH2:16][CH2:15][CH2:14][C@H:10]1[C:11]([NH2:13])=[O:12])=[O:8])[CH2:3][CH:4]([CH3:6])[CH3:5].Cl.C(N(CC)CC)C>CN(C=O)C>[NH2:1][C@H:2]([C:7]([N:9]1[CH2:16][CH2:15][CH2:14][C@H:10]1[C:11]([NH2:13])=[O:12])=[O:8])[CH2:3][CH:4]([CH3:5])[CH3:6] | 1 |
C1NCC2=CC=CC=C12.C(C)OC(CC=1C=C2C(C(N(C2=CC1)C(=O)OC(C)(C)C)=O)=O)=O>>C(C)(C)(C)OC(=O)NC1=C(C=C(C=C1)CC(=O)OCC)C(C(=O)N1CC2=CC=CC=C2C1)=O | 5 |
[O:1]=[C:2]1[NH:7][C:6](=[O:8])[CH:5]=[N:4][N:3]1[C:9]1[CH:10]=[CH:11][C:12]([CH3:27])=[C:13]([CH:26]=1)[C:14]([NH:16][CH2:17][C:18]1([OH:25])[CH2:24][CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]1)=[O:15].Br[CH2:29][C:30]([NH2:32])=[O:31]>CS(C)=O.O>[C:30]([CH2:29][N:7]1[C:6](=[O:8])[CH:5]=[N:4][N:3]([C:9]2[CH:10]=[CH:11][C:... | 1 |
C[C:2]1([CH3:10])[CH2:7][CH2:6][CH2:5][C:4]([CH3:9])(C)N1.[CH3:11][C:12](=[O:17])[CH2:13][C:14](=[O:16])[CH3:15]>C(N(CC)CC)C>[C:4]1([CH:9]=[CH:11][C:12](=[O:17])[CH2:13][C:14](=[O:16])[CH3:15])[CH:5]=[CH:6][CH:7]=[CH:2][CH:10]=1 | 1 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[C:14]2[CH:15]=[C:16](I)[CH:17]=[CH:18][C:13]=2[N:12]2[C:20]([CH3:23])=[N:21][N:22]=[C:11]2[CH2:10][N:9]=1.[CH2:24]([N:27]1[C:35](=[O:36])[N:30]2[CH:31]=[CH:32][CH:33]=[CH:34][C:29]2=[N:28]1)[C:25]#[CH:26].C#C>O>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[C:14]2[... | 1 |
C(NC(C)C)(C)C.[Li+].CCC[CH2-].[CH2:13]([O:15][C:16](=[O:24])[CH2:17][CH:18]1[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]1)[CH3:14].CN1C(=O)N(C)CCC1.Br[CH2:35][CH2:36][Cl:37]>C1COCC1>[CH2:13]([O:15][C:16](=[O:24])[CH:17]([CH:18]1[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]1)[CH2:35][CH2:36][Cl:37])[CH3:14] | 1 |
BrC=1C=CC2=C(NC(CO2)=O)C1.CCOC(=O)[C@H](C)OS(=O)(=O)C(F)(F)F>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[K+]>C(C)OC([C@@H](C)N1C(COC2=C1C=C(C=C2)Br)=O)=O | 3 |
C(#N)C([CH2:4][C:5]#[N:6])O.[H-].[Na+].[CH3:10][CH:11]1[O:16][CH:15]([CH3:17])[CH2:14][N:13]([C:18]2[CH:29]=[C:22]3[C:23]([O:25][C:26](=O)[NH:27][C:21]3=[CH:20][CH:19]=2)=O)[CH2:12]1.C[N:31](C)C=O>O>[NH2:31][C:26]1[C:4]([C:5]#[N:6])=[C:23]([OH:25])[C:22]2[C:21](=[CH:20][CH:19]=[C:18]([N:13]3[CH2:14][CH:15]([CH3:17])[O:... | 1 |
[C:1]([O:5][C:6]([NH:8][CH:9]([C:40]([O:42]C(C)(C)C)=[O:41])[CH2:10][O:11][P:12](=[O:39])([OH:38])[O:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][NH:20]C(=O)OCC1C2C=CC=CC=2C2C1=CC=CC=2)=[O:7])([CH3:4])([CH3:3])[CH3:2].O>N1CCCCC1>[NH2:20][CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][O:13][P:12]([O:11][CH2:10][... | 2 |
C([C:3]1[C:4]([NH:22][C:23](=[O:28])[C:24]([CH3:27])([CH3:26])[CH3:25])=[N:5][C:6]([N:9]2[C@H:14]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)[CH2:13][O:12][C@H:11]([CH3:21])[CH2:10]2)=[CH:7][CH:8]=1)=O.OO.NC(N)=[O:33].[OH-].[Na+].S([O-])([O-])=O.[Na+].[Na+]>CO>[OH:33][C:3]1[C:4]([NH:22][C:23](=[O:28])[C:24]([CH3:27... | 2 |
C(C)O[C@H](C(=O)O)CC1=CC=C(C=C1)O.C1(=CC=CC=C1)SC1=CC=C(C=C1)CCO>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.C1CCN(CC1)C(=O)N=NC(=O)N2CCCCC2>C(C)OC([C@H](CC1=CC=C(C=C1)OCCC1=CC=C(C=C1)SC1=CC=CC=C1)OCC)=O | 3 |
[CH2:1]([O:3][C:4](=[O:16])[C:5]1[CH:10]=[C:9]([N+:11]([O-])=O)[C:8]([NH:14][CH3:15])=[N:7][CH:6]=1)[CH3:2]>[Pd]>[CH2:1]([O:3][C:4](=[O:16])[C:5]1[CH:10]=[C:9]([NH2:11])[C:8]([NH:14][CH3:15])=[N:7][CH:6]=1)[CH3:2] | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)=O.C1(CC1)CN>>C(C)(C)(C)OC(=O)N1CCC(CC1)NCC1CC1 | 5 |
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