smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
N1=CC=C2N1C(=CC=N2)C=2C=C(C=CC2)NC(C2=CC(=CC=C2)C(F)(F)F)=O>C(C)(=O)O.C(#N)[BH3-].[Na+]>N1=CC=C2N1C(=CCN2)C=2C=C(C=CC2)NC(C2=CC(=CC=C2)C(F)(F)F)=O | 3 |
[OH:1][C:2]1[CH:7]=[C:6]([CH:8]=O)[N:5]=[C:4]([CH:10]=O)[CH:3]=1.[C:12]1(P(C2C=CC=CC=2)C2C=CC=CC=2)[CH:17]=CC=C[CH:13]=1.[CH2:31]([Li])[CH2:32][CH2:33]C>C1(C)C=CC=CC=1>[CH3:13][C:12]([CH3:17])=[CH:8][C:6]1[CH:7]=[C:2]([OH:1])[CH:3]=[C:4]([CH:10]=[C:32]([CH3:33])[CH3:31])[N:5]=1 | 2 |
C12(CC(C1)C2)C2=CC=C(C=C2)O>CC#N.C=O.CCN(CC)CC.Cl>C12(CC(C1)C2)C=2C=CC(=C(C=O)C2)O | 3 |
[CH3:1][C:2]([NH:6][CH3:7])([CH3:5])[CH2:3][OH:4].[CH2:8]1[O:18][C:17]2[CH:16]=[CH:15][C:12]([CH2:13]Cl)=[CH:11][C:10]=2[O:9]1.C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[CH3:1][C:2]([N:6]([CH2:13][C:12]1[CH:15]=[CH:16][C:17]2[O:18][CH2:8][O:9][C:10]=2[CH:11]=1)[CH3:7])([CH3:5])[CH2:3][OH:4] | 1 |
ClCC=1N=C2N(C=C(C=C2)C2CC2)C1.ClC1=CC=2N(C=C1)C=NC2CNC(=O)C=2C=NNC2>N(C)(C)C=O.O.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=CC=2N(C=C1)C=NC2CNC(=O)C=2C=NN(C2)CC=2N=C1N(C=C(C=C1)C1CC1)C2 | 3 |
CC=1N=C(C2=C(N1)C=CC(=N2)C2=CC=C(C=C2)F)Cl>>CC=1N=C(C2=C(N1)C=CC(=N2)C2=CC=C(C=C2)F)OCCOC | 5 |
BrCC1CC1.C(C)OC(=O)C1=CNC2=CC=C(C=C2C1=O)I>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C1(CC1)CN1C=C(C(C2=CC(=CC=C12)I)=O)C(=O)OCC | 3 |
[CH2:1]([C:5]1[N:9]([CH2:10][C:11]2[CH:16]=[CH:15][C:14]([C:17]3[C:18]([C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])=[CH:19][CH:20]=[CH:21][CH:22]=3)=[CH:13][CH:12]=2)[C:8]2[CH:30]=[C:31](N3CCCC(C4CCCCC4)C3)[CH:32]=[CH:33][C:7]=2[N:6]=1)[CH2:2][CH2:3][CH3:4]>C(Cl)Cl.C(O)C>[CH2:1]([C:5]1[N:9]([CH2:10][C:11]2[CH:12]=[CH:13][C:14]([C:17]3[C:18]([C:23]([O:25][C:26]([CH3:29])([CH3:27])[CH3:28])=[O:24])=[CH:19][CH:20]=[CH:21][CH:22]=3)=[CH:15][CH:16]=2)[C:8]2[CH:30]=[C:31]([CH2:5][CH2:1][CH2:2][CH3:3])[CH:32]=[CH:33][C:7]=2[N:6]=1)[CH2:2][CH2:3][CH3:4] | 1 |
COC1=CC(=CC=C1)N.N=C=N.COCCN1C(C2=CC(=CC=C2C(C1C=1SC=CC1)C(=O)O)[N+](=O)[O-])=O>>COCCN1C(C2=CC(=CC=C2C(C1C=1SC=CC1)C(=O)NC1=CC(=CC=C1)OC)[N+](=O)[O-])=O | 5 |
C1(=CC=CC=C1)S(=O)(=O)N1C(=CC=2C1=NC=CC2)\C(=C/C2CC1(OCCO1)CC2)\C2=CC=C(C=C2)S(=O)(=O)C>C1CCCO1.ClCCl.CCO[H].[OH-].[Na+]>O1CCOC12CC(CC2)\C=C(\C2=CC=C(C=C2)S(=O)(=O)C)/C2=CC=1C(=NC=CC1)N2 | 3 |
ClC1=CC=C(C=C1)C1(CC2(CC2)C1)C#N>O.CCO[H].Cl.[OH-].[Li+]>ClC1=CC=C(C=C1)C1(CC2(CC2)C1)C(=O)O | 3 |
[CH3:1][O:2][C:3]([C:5]1[S:6][C:7]([C:10]#[C:11][CH2:12][CH2:13][OH:14])=[CH:8][CH:9]=1)=[O:4]>[Pd].CO>[CH3:1][O:2][C:3]([C:5]1[S:6][C:7]([CH2:10][CH2:11][CH2:12][CH2:13][OH:14])=[CH:8][CH:9]=1)=[O:4] | 1 |
BrC1=CC(=C(C=C1)F)I.FC1=C(C(=CC=C1)O)B(O)O>C1(=CC=CC=C1)C.CO[H].C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>BrC=1C=CC(=C(C1)C=1C(=CC=CC1F)O)F | 3 |
C(C)I.FC1=CC=C(C=C1)S(=O)(=O)N[C@H](C(=O)OC)CO>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)N([C@H](C(=O)OC)CO)S(=O)(=O)C1=CC=C(C=C1)F | 3 |
C[O:2][C:3](=[O:9])[C:4]([CH3:8])([CH3:7])[CH2:5][OH:6].[H-].[Na+].[CH2:12](Br)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.O>C1COCC1>[CH2:12]([O:6][CH2:5][C:4]([CH3:8])([CH3:7])[C:3]([OH:2])=[O:9])[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1 | 1 |
C1(CCCCC1)CN.CC1=C(C=C(C(N1C1=CC(=CC=C1)C(F)(F)F)=O)C(=O)O)C1=CC=CC=C1>>C1(CCCCC1)CNC(=O)C=1C(N(C(=C(C1)C1=CC=CC=C1)C)C1=CC(=CC=C1)C(F)(F)F)=O | 5 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[NH:9][NH:10][C:11](=[O:13])[CH3:12].[Cl:14][C:15]1[CH:20]=[CH:19][C:18]([C:21](=O)CC(OCC)=O)=[CH:17][CH:16]=1.P(Cl)(Cl)Cl>ClCCCl>[Cl:14][C:15]1[CH:20]=[CH:19][C:18]([C:21]2[N:9]([C:4]3[CH:5]=[CH:6][CH:7]=[CH:8][C:3]=3[O:2][CH3:1])[NH:10][C:11](=[O:13])[CH:12]=2)=[CH:17][CH:16]=1 | 1 |
C(C1=CC=CC=C1)C(C(=O)OCC)(C(=O)OCC)OC[C@H]1O[C@H]([C@@H]([C@]1(C#C)OC(C)=O)OC(C)=O)N1C2=NC(=NC(=C2N=C1)N)C(=C)OCC>C1CCCO1.Cl.C(O)([O-])=O.[Na+]>C(C1=CC=CC=C1)C(C(=O)OCC)(C(=O)OCC)OC[C@H]1O[C@H]([C@@H]([C@]1(C#C)OC(C)=O)OC(C)=O)N1C2=NC(=NC(=C2N=C1)N)C(C)=O | 3 |
CN1CCNCC1.Br.ClC=1C=CC=2N(N1)C=C(N2)C=2C(OC1=CC(=CC=C1C2)F)=O>CS(=O)C>ClC=1C=CC=2N(N1)C=C(N2)C=2C(OC1=CC(=CC=C1C2)N2CCN(CC2)C)=O | 3 |
[C:1]1(=[O:11])[O:6][C:4](=O)[C:3]2=[CH:7][CH:8]=[CH:9][CH:10]=[C:2]12.[NH2:12][CH2:13][CH2:14][O:15][CH2:16][CH2:17][OH:18]>C1(C)C=CC=CC=1>[OH:18][CH2:17][CH2:16][O:15][CH2:14][CH2:13][N:12]1[C:1](=[O:11])[C:2]2=[CH:10][CH:9]=[CH:8][CH:7]=[C:3]2[C:4]1=[O:6] | 2 |
C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CC(=O)O)I>>OC1=CC=C(OC2=C(C=C(C=C2I)CC(=O)OC)I)C=C1 | 5 |
ClC(C(=O)N1CCN(CC1)C=1C=C(C=CC1OC)S(=O)(=O)Cl)(Cl)Cl.FC=1C=C2C(=CNC2=CC1)C>>ClC(C(=O)N1CCN(CC1)C1=C(C=CC(=C1)S(=O)(=O)N1C=C(C2=CC(=CC=C12)F)C)OC)(Cl)Cl | 5 |
[NH2:1][C:2]1[O:6][N:5]=[C:4]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=2[Cl:13])[C:3]=1[C:14]([OH:16])=O.Cl.C(N=C=N[CH2:23][CH2:24][CH2:25][N:26]([CH3:28])C)C.N1CCN([C:35]([O:37][CH2:38][CH3:39])=[O:36])CC1.Cl[CH2:41]Cl>>[CH2:38]([O:37][C:35]([CH:23]1[CH2:24][CH2:25][N:26]([C:14]([C:3]2[C:4]([C:7]3[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=3[Cl:13])=[N:5][O:6][C:2]=2[NH2:1])=[O:16])[CH2:28][CH2:41]1)=[O:36])[CH3:39] | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:9]=[CH:10][C:11]=1[N:12]1[C:17]([CH3:18])=[CH:16][C:15]([O:19][CH2:20][C:21]2[CH:26]=[CH:25][C:24]([F:27])=[CH:23][C:22]=2[F:28])=[CH:14][C:13]1=[O:29])[C:5]([O:7][CH3:8])=[O:6].[Br:30]N1C(=O)CCC1=O>C(Cl)Cl>[Br:30][C:14]1[C:13](=[O:29])[N:12]([C:11]2[CH:10]=[CH:9][C:4]([C:5]([O:7][CH3:8])=[O:6])=[CH:3][C:2]=2[Cl:1])[C:17]([CH3:18])=[CH:16][C:15]=1[O:19][CH2:20][C:21]1[CH:26]=[CH:25][C:24]([F:27])=[CH:23][C:22]=1[F:28] | 1 |
ClS(=O)(=O)O.S1C(=CC=C1)C(=O)N1CCOCC1>>N1(CCOCC1)C(=O)C1=CC(=CS1)S(=O)(=O)Cl | 5 |
BrCC(=O)OC(C)(C)C.CC1(C(N(C(N1)=O)C(=O)C1=CC=CC2=CC=CC=C12)=O)C>>CC1(C(N(C(N1CC(=O)OC(C)(C)C)=O)C(=O)C1=CC=CC2=CC=CC=C12)=O)C | 5 |
Br[CH2:2][C:3]([C:5]1[CH:13]=[C:12]2[C:8]([C:9]([CH3:17])([CH3:16])[C:10](=[O:15])[N:11]2[CH3:14])=[CH:7][CH:6]=1)=[O:4].[N-:18]=[N+:19]=[N-:20].[Na+].O>CC(C)=O>[N:18]([CH2:2][C:3]([C:5]1[CH:13]=[C:12]2[C:8]([C:9]([CH3:17])([CH3:16])[C:10](=[O:15])[N:11]2[CH3:14])=[CH:7][CH:6]=1)=[O:4])=[N+:19]=[N-:20] | 2 |
C(C1=CC=CC=C1)NC(=O)C1(CCN(CC1)C1=NC=CC=N1)C1=CC(=CC=C1)OC>>C(C1=CC=CC=C1)NC(=S)C1(CCN(CC1)C1=NC=CC=N1)C1=CC(=CC=C1)OC | 5 |
F[B-](F)(F)F.C[O+](C)C.C(C)OC1=C(C=CC(=C1F)F)[C@H]1[C@@H](O[C@]([C@H]1C)(C(F)(F)F)C)C(=O)NC1=CC(=NC=C1)S(=O)(=N)C>ClCCl.C(O)([O-])=O.[Na+]>CN=S(=O)(C)C1=NC=CC(=C1)NC(=O)[C@@H]1O[C@]([C@H]([C@H]1C1=C(C(=C(C=C1)F)F)OCC)C)(C(F)(F)F)C | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:37]#[N:38])=[C:6]([C:8]2[C:13]([C:14]([F:17])([F:16])[F:15])=[CH:12][N:11]([CH:18]([CH3:35])[C:19]([NH:21][C:22]3[CH:34]=[CH:33][C:25]([C:26]([O:28]C(C)(C)C)=[O:27])=[CH:24][CH:23]=3)=[O:20])[C:10](=[O:36])[CH:9]=2)[CH:7]=1.C(O)(C(F)(F)F)=O>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:37]#[N:38])=[C:6]([C:8]2[C:13]([C:14]([F:17])([F:15])[F:16])=[CH:12][N:11]([CH:18]([CH3:35])[C:19]([NH:21][C:22]3[CH:23]=[CH:24][C:25]([C:26]([OH:28])=[O:27])=[CH:33][CH:34]=3)=[O:20])[C:10](=[O:36])[CH:9]=2)[CH:7]=1 | 1 |
CC1(OB(OC1(C)C)C1=CC=C(C=C1)[N+](=O)[O-])C.C1(=CC=CC=C1)S(=O)[O-].[Na+]>C([O-])([O-])=O.[K+].[K+].C(C)(=O)[O-].[Cu+2].C(C)(=O)[O-].CS(=O)C>[N+](=O)([O-])C1=CC=C(C=C1)S(=O)(=O)C1=CC=CC=C1 | 3 |
C(C1([S:7]([NH:10][C:11]2[C:19]([NH:20][C:21]3[CH:26]=[CH:25][C:24]([Br:27])=[CH:23][C:22]=3[Cl:28])=[C:18]([F:29])[C:14]3[N:15]=[CH:16][S:17][C:13]=3[CH:12]=2)(=[O:9])=[O:8])CC1)C=C.C[N+]1([O-])CCO[CH2:33][CH2:32]1.[OH2:38].[CH2:39]1[CH2:43][O:42][CH2:41][CH2:40]1>[Os](=O)(=O)(=O)=O>[Br:27][C:24]1[CH:25]=[CH:26][C:21]([NH:20][C:19]2[C:11]([NH:10][S:7]([C:41]3([CH2:40][CH:39]([OH:38])[CH2:43][OH:42])[CH2:33][CH2:32]3)(=[O:8])=[O:9])=[CH:12][C:13]3[S:17][CH:16]=[N:15][C:14]=3[C:18]=2[F:29])=[C:22]([Cl:28])[CH:23]=1 | 1 |
C1(=CC=C(C=C1)C=1N=C2C(=NC1C1=CC=C(C=C1)C)N(CCC2)CCCCC2CC(=NO2)OC)C>O.CO[H].B(O)(O)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo]>C1(=CC=C(C=C1)C=1N=C2C(=NC1C1=CC=C(C=C1)C)N(CCC2)CCCCC(CC(=O)OC)O)C | 3 |
ClC1=CC=C(C=C1)N=C=S.NC1=NC=CC=C1OCC1=CC=CC=C1>C1(=CC=CC=C1)C.C(C)OCC>C(C1=CC=CC=C1)OC=1C(=NC=CC1)NC(=S)NC1=CC=C(C=C1)Cl | 3 |
O1C(CCCC1)N1N=CC=C1B1OC(C(O1)(C)C)(C)C.BrC1=CC(=C2CNC(C2=C1)=O)C(F)(F)F>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>O1C(CCCC1)N1N=CC=C1C1=CC(=C2CNC(C2=C1)=O)C(F)(F)F | 3 |
C(N(C(C)C)CC)(C)C.[Cl:10][C:11]1[N:16]=[C:15](Cl)[CH:14]=[C:13]([CH2:18][CH2:19][CH3:20])[N:12]=1.[NH2:21][C@H:22]1[CH2:26][CH2:25][NH:24][CH2:23]1.ClCCl>C(O)C>[Cl:10][C:11]1[N:16]=[C:15]([N:24]2[CH2:25][CH2:26][C@H:22]([NH2:21])[CH2:23]2)[CH:14]=[C:13]([CH2:18][CH2:19][CH3:20])[N:12]=1 | 2 |
C(C)(C)(C)OC(=O)NCC1=CC(=C(C(=O)O)C=C1)Cl.ClC=1C=2N(C=C(C1)C(F)(F)F)C=C(N2)C(=O)NN>>ClC=1C=C(CNC(OC(C)(C)C)=O)C=CC1C(=O)NNC(=O)C=1N=C2N(C=C(C=C2Cl)C(F)(F)F)C1 | 5 |
ClC1=C(C=C(C=C1)C(CCCC(=O)O)C)CNC1(CC1)C=1C=NC=CC1C1=C(C=CC=C1)OC1CC1.OCCCCCNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=C(C=C(C=C1)C(CCCC(=O)N(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCCCO)C)CNC1(CC1)C=1C=NC=CC1C1=C(C=CC=C1)OC1CC1 | 3 |
C(CO)(=O)O.C1NCC2C1CC(C2)=O>CC#N.CCN(CC)CC.Cl.C(C)N=C=NCCCN(C)C>OCC(=O)N1CC2C(C1)CC(C2)=O | 3 |
C1(=CC=CC=C1)C(=N)C1=CC=CC=C1.ClC1=NC=C(C=C1)C1CCC1>C1(=CC=CC=C1)C.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].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>C1(CCC1)C=1C=CC(=NC1)N=C(C1=CC=CC=C1)C1=CC=CC=C1 | 3 |
C(C=C)(=O)Cl.NC=1C(=CC(=C(C1)NC1=NC=CC(=N1)C1=CN(C2=CC(=CC=C12)P(C)(C)=O)C)OC(F)F)N(C)CCN(C)C>C1CCCO1.CO[H].CCN(CC)CC>FC(OC1=CC(=C(C=C1NC1=NC=CC(=N1)C1=CN(C2=CC(=CC=C12)P(=O)(C)C)C)NC(C=C)=O)N(C)CCN(C)C)F | 3 |
CN1N=C2C=C(C=C(C2=C1)O[C@H](C)[C@@H]1CC(NC1)=O)B1OC(C(O1)(C)C)(C)C.BrC=1C=NN(C1)CCC(F)(F)F>>CN1N=C2C=C(C=C(C2=C1)O[C@H](C)[C@@H]1CC(NC1)=O)C=1C=NN(C1)CCC(F)(F)F | 5 |
COC(=O)C=1NC(=CC1)C(F)(F)F>[OH-].[Li+].C(C)O.O>C(C)OC(=O)C1=CC=C(N1)C(=O)O | 3 |
[Cl:1][C:2]1[C:7]([C:8]([F:11])([F:10])[F:9])=[CH:6][CH:5]=[CH:4][C:3]=1[C:12]1[O:13][C:14]2[C:19]([C:20](=[O:22])[CH:21]=1)=[C:18](OC)[CH:17]=[C:16]([O:25]C)[C:15]=2[C@@H:27]1[CH2:31][CH2:30][N:29]([CH3:32])[C@H:28]1[CH2:33][OH:34].Cl.N1C=CC=CC=1.C([O-])([O-])=[O:43].[Na+].[Na+]>CO>[Cl:1][C:2]1[C:7]([C:8]([F:9])([F:11])[F:10])=[CH:6][CH:5]=[CH:4][C:3]=1[C:12]1[O:13][C:14]2[C:19]([C:20](=[O:22])[CH:21]=1)=[CH:18][C:17]([OH:43])=[C:16]([OH:25])[C:15]=2[C@@H:27]1[CH2:31][CH2:30][N:29]([CH3:32])[C@H:28]1[CH2:33][OH:34] | 2 |
C(C)(=O)NC1CCNCC1.ClC1=NC=C(C(=C1)I)F>C1(=CC=CC=C1)C.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=NC=C(C(=C1)N1CCC(CC1)NC(C)=O)F | 3 |
COCCOCOC1=C(C=C(C=C1)C1=CC2=C(C(=N1)C#N)N=NN2C)C(F)(F)F>C1CCCO1.Cl.N>OC1=C(C=C(C=C1)C1=CC2=C(C(=N1)C#N)N=NN2C)C(F)(F)F | 3 |
[O:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[CH:3]=[C:2]1[CH:10]=[N:11][S:12]([C:15]1[CH:25]=[CH:24][C:18]2[O:19][CH2:20][CH2:21][CH2:22][O:23][C:17]=2[CH:16]=1)(=[O:14])=[O:13].[N+:26]([C:29]1[CH:30]=[C:31](B(O)O)[CH:32]=[CH:33][CH:34]=1)([O-:28])=[O:27]>[B-](F)(F)(F)F.CC#N.CC#N.C1CC=CCCC=C1.[Rh].O1CCOCC1>[O:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[CH:3]=[C:2]1[CH:10]([C:33]1[CH:32]=[CH:31][CH:30]=[C:29]([N+:26]([O-:28])=[O:27])[CH:34]=1)[NH:11][S:12]([C:15]1[CH:25]=[CH:24][C:18]2[O:19][CH2:20][CH2:21][CH2:22][O:23][C:17]=2[CH:16]=1)(=[O:13])=[O:14] | 2 |
C(C1=CC=CC=C1)Cl.N1=C(C=CC=C1)C=1NC2=C(N1)C=CC=C2>>C(C1=CC=CC=C1)N1C(=NC2=C1C=CC=C2)C2=NC=CC=C2 | 5 |
ClC1=CC(=C(C=C1OCCO)N1C(N(C(=CC1=O)C(F)(F)F)C)=O)F>C(C)OCC.c1ccncc1>C(=O)OCCOC1=C(C=C(C(=C1)N1C(N(C(=CC1=O)C(F)(F)F)C)=O)F)Cl | 3 |
ClCC(=O)OC(CCl)=O.NC1=NC=CC=C1N>O.C1CCCO1>ClCC1=NC=2C(=NC=C(C2)C2=NOC(=N2)C(F)(F)F)N1C[C@H]1OCCC1 | 4 |
C(C)(C)(C)OC(=O)N1[C@H](C2=CC=C(C=C2CC1)OC)C(NC1=CC(=C(C(=C1)F)C(C(N1CCCC1)=O)(C)C)F)=O>Cl.C(C)(=O)OCC>Cl.FC=1C=C(C=C(C1C(C(N1CCCC1)=O)(C)C)F)NC(=O)[C@@H]1NCCC2=CC(=CC=C12)OC | 3 |
ClC1=C(CN)C=CC=C1.CC(C(=O)OC)(CO)C>>ClC1=C(CNC(C(CO)(C)C)=O)C=CC=C1 | 5 |
[I:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[C:4]([N+:9]([O-])=O)[CH:3]=1.O.O.Cl[Sn]Cl>Cl>[I:1][C:2]1[CH:3]=[C:4]([NH2:9])[C:5]([NH2:6])=[CH:7][CH:8]=1 | 1 |
[CH2:1]([P:3]([O:7][C:8]1[CH:13]=[CH:12][C:11]([P:14]([O:25][CH2:26][CH3:27])([CH2:16][P:17]([O:22][CH2:23][CH3:24])([O:19][CH2:20][CH3:21])=[O:18])=[O:15])=[CH:10][C:9]=1[C:28]([CH3:41])([CH3:40])[CH2:29][C:30]([O:32]CC1C=CC=CC=1)=[O:31])([CH2:5][CH3:6])=[O:4])[CH3:2]>CO.[Pd]>[CH2:5]([P:3]([O:7][C:8]1[CH:13]=[CH:12][C:11]([P:14]([O:25][CH2:26][CH3:27])([CH2:16][P:17]([O:22][CH2:23][CH3:24])([O:19][CH2:20][CH3:21])=[O:18])=[O:15])=[CH:10][C:9]=1[C:28]([CH3:41])([CH3:40])[CH2:29][C:30]([OH:32])=[O:31])([CH2:1][CH3:2])=[O:4])[CH3:6] | 2 |
C(C)(C)(C)OC(=O)N1C2C(C(C1)OC1=CC=CC=C1)N(CC2)C(C(C(C)C)NC(C(C)N(C)C(=O)OCC2=CC=CC=C2)=O)=O>CO[H].[HH].[Pd]>C(C)(C)(C)OC(=O)N1C2C(C(C1)OC1=CC=CC=C1)N(CC2)C(C(C(C)C)NC(C(C)NC)=O)=O | 3 |
[C:1]1([C:7]2[S:8][C:9]([C:16]([OH:18])=O)=[C:10]([C:12]([F:15])([F:14])[F:13])[N:11]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C1CN([P+](ON2N=NC3C=CC=CC2=3)(N2CCCC2)N2CCCC2)CC1.F[P-](F)(F)(F)(F)F.[F:52][C:53]([F:65])([F:64])[O:54][C:55]1[CH:56]=[C:57]([CH:61]([NH2:63])[CH3:62])[CH:58]=[CH:59][CH:60]=1.CCN(CC)CC>CN(C=O)C.CN(C1C=CN=CC=1)C>[F:52][C:53]([F:64])([F:65])[O:54][C:55]1[CH:56]=[C:57]([CH:61]([NH:63][C:16]([C:9]2[S:8][C:7]([C:1]3[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=3)=[N:11][C:10]=2[C:12]([F:13])([F:14])[F:15])=[O:18])[CH3:62])[CH:58]=[CH:59][CH:60]=1 | 1 |
FC=1C=C(C=C(C1F)F)B(O)O.BrC1=C2C=C(C=NC2=CN=C1)C(=O)N>>FC=1C=C(C=C(C1F)F)C1=C2C=C(C=NC2=CN=C1)C(=O)N | 5 |
C[Al](C)C.[CH3:5][N:6]([CH3:8])[NH2:7].C[O:10][C:11]([C:13]1[O:17][N:16]=[C:15]([O:18][CH2:19][C:20]2[C:21]([C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][N:27]=3)=[N:22][O:23][C:24]=2[CH3:25])[CH:14]=1)=O.[C@H](O)(C([O-])=O)[C@@H](O)C([O-])=O.[Na+].[K+]>O1CCOCC1>[CH3:5][N:6]([CH3:8])[NH:7][C:11]([C:13]1[O:17][N:16]=[C:15]([O:18][CH2:19][C:20]2[C:21]([C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][N:27]=3)=[N:22][O:23][C:24]=2[CH3:25])[CH:14]=1)=[O:10] | 1 |
FC=1C=C2C=CN(C2=CC1)C1=C(C(=NN1C)C)/C=C/C(=O)NS(=O)(=O)C1=C(C=C(C=C1)C)OC>ClCCl.B(Br)(Br)Br>FC=1C=C2C=CN(C2=CC1)C1=C(C(=NN1C)C)/C=C/C(=O)NS(=O)(=O)C1=C(C=C(C=C1)C)O | 3 |
N1CCSCC1.ClC1=NC=CC=C1S(=O)(=O)N>N(C)(C)C=O>N1(CCSCC1)C1=NC=CC=C1S(=O)(=O)N | 3 |
C(C1=CC=CC=C1)N(C(OCC1=CC=CC=C1)=O)[C@H]1[C@@H](CN(CC1)CCO[Si](C)(C)C(C)(C)C)F>>C(C1=CC=CC=C1)N(C(OCC1=CC=CC=C1)=O)C1C(CN(CC1)CCO)F | 5 |
FC(C(=O)OCC1CCC(CC1)N1N=C2C=C(C(=CC2=C1)N)C(C)(C)O)(F)F>O.C1CCCO1.O[Li].O>OCC1CCC(CC1)N1N=C2C=C(C(=CC2=C1)NC(=O)C1=NC(=CC=C1)C)C(C)(C)O | 3 |
Br[C:2]1[CH:3]=[CH:4][C:5]([NH:8]CCOC)=[N:6][CH:7]=1.CC1(C)C(C)(C)OB([C:21]2[CH:22]=[CH:23][C:24](N)=[N:25][CH:26]=2)O1.[C:29]([C:33]1[O:37][N:36]=[C:35]([NH:38][C:39](=[O:56])[CH2:40]C2C=CC(B3OC(C)(C)C(C)(C)O3)=CC=2)[CH:34]=1)([CH3:32])([CH3:31])[CH3:30]>>[NH2:8][C:5]1[N:6]=[CH:7][C:2]([C:21]2[CH:26]=[N:25][C:24]([CH2:40][C:39]([NH:38][C:35]3[CH:34]=[C:33]([C:29]([CH3:32])([CH3:31])[CH3:30])[O:37][N:36]=3)=[O:56])=[CH:23][CH:22]=2)=[CH:3][CH:4]=1 | 2 |
C1(CCCCCC1)=O>CCO[H].Cl.NO>C1(CCCCCC1)=NO | 3 |
[C:1](=[S:4])([S-:3])[NH2:2].[NH4+].Br[CH2:7][C:8]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)=O>CCO>[C:10]1([C:8]2[N:2]=[C:1]([SH:3])[S:4][CH:7]=2)[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1 | 2 |
O=C1N(CC2=CC(=CC=C12)C1CCNCC1)C1C(NC(CC1)=O)=O.CN1C(C(=CC=C1)NC=1C=C(C=O)C=CC1)=O>N(C)(C)C=O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>CN1C(C(=CC=C1)NC=1C=C(CN2CCC(CC2)C=2C=C3CN(C(C3=CC2)=O)C2C(NC(CC2)=O)=O)C=CC1)=O | 3 |
BrC=1C=NC(=NC1)C(=O)C1=CC=CC=C1>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C([O-])([O-])=O.[Na+].[Na+].CN(C(C)=O)C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.O.O.O.[K+].[K+].[K+].[K+].[Fe+2]>C(C1=CC=CC=C1)(=O)C1=NC=C(C=N1)C#N | 3 |
FC=1C=C(C=CC1)S(=O)(=O)Cl.CC1(CC(NC2=CC=C(C=C12)C(F)(F)F)C1=C(N)C=CC=C1)C>ClCCl.c1ccncc1>CC1(CC(NC2=CC=C(C=C12)C(F)(F)F)C1=C(C=CC=C1)NS(=O)(=O)C1=CC(=CC=C1)F)C | 3 |
CC(C)([O-])C.[K+].C[O:8][C:9](=[O:44])[C:10]1[CH:15]=[CH:14][C:13]([CH2:16][CH2:17][S:18]([N:21]2[CH2:42][CH2:41][C:24]3([N:28]=[C:27]([CH:29]4[CH2:34][CH2:33][CH:32]([CH2:35][CH:36]=[C:37]([F:39])[F:38])[CH2:31][CH2:30]4)[NH:26][C:25]3=[O:40])[CH2:23][CH2:22]2)(=[O:20])=[O:19])=[C:12]([CH3:43])[CH:11]=1.Cl>C(O)(C)(C)C.O1CCCC1.COC(C)(C)C>[F:39][C:37]([F:38])=[CH:36][CH2:35][CH:32]1[CH2:33][CH2:34][CH:29]([C:27]2[NH:26][C:25](=[O:40])[C:24]3([CH2:41][CH2:42][N:21]([S:18]([CH2:17][CH2:16][C:13]4[CH:14]=[CH:15][C:10]([C:9]([OH:44])=[O:8])=[CH:11][C:12]=4[CH3:43])(=[O:20])=[O:19])[CH2:22][CH2:23]3)[N:28]=2)[CH2:30][CH2:31]1 | 1 |
OC1=C(C(N(C2=NC=CC=C12)C1=CC=CC=C1)=O)C(CCC1=CC(=CC=C1)[N+](=O)[O-])=O>>[N+](=O)([O-])C=1C=C(C=CC1)CCC1=NNC2=C1C(N(C=1N=CC=CC21)C2=CC=CC=C2)=O | 5 |
C(C)(C)(C)[Si](C)(C)Cl.C(#C)[C@@]1([C@H]([C@@H](O[C@@H]1CO)N1C(=O)N=C(N)C=C1)O)O>N(C)(C)C=O.c1cnc[nH]1>[Si](C)(C)(C(C)(C)C)OC[C@@H]1[C@]([C@H]([C@@H](O1)N1C(=O)N=C(N)C=C1)O)(O)C#C | 3 |
NC1=C2N=CN(C2=NC(=N1)N1CCC(=CC1)C1=CC=C(C=C1)O)C1=CC=NC=C1>CO[H].[HH].[Pd]>NC1=C2N=CN(C2=NC(=N1)N1CCC(CC1)C1=CC=C(C=C1)O)C1=CC=NC=C1 | 3 |
COCN(C[Si](C)(C)C)CC1=CC=CC=C1.O1C(=O)C=CC2=CC=CC=C12>>C(C1=CC=CC=C1)N1CC2C(C1)C=1C=CC=CC1OC2=O | 5 |
[CH2:1]([O:8][C:9](=[O:34])[C:10]1[CH:15]=[C:14]([NH:16][C:17](=[O:33])[CH2:18][C:19](=[O:32])[CH2:20][O:21][C:22]23[CH2:31][CH:26]4[CH2:27][CH:28]([CH2:30][CH:24]([CH2:25]4)[CH2:23]2)[CH2:29]3)[CH:13]=[CH:12][CH:11]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.O.[N:36]([O-])=[O:37].[Na+]>C(O)(=O)C.C1COCC1>[CH2:1]([O:8][C:9](=[O:34])[C:10]1[CH:11]=[CH:12][CH:13]=[C:14]([NH:16][C:17](=[O:33])[C:18](=[N:36][OH:37])[C:19](=[O:32])[CH2:20][O:21][C:22]23[CH2:29][CH:28]4[CH2:27][CH:26]([CH2:25][CH:24]([CH2:30]4)[CH2:23]2)[CH2:31]3)[CH:15]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([O:8]C)=[CH:4][CH:3]=1.[Cl-].[Al+3].[Cl-].[Cl-].[C:14](Cl)(=[O:19])[CH2:15][CH:16]([CH3:18])[CH3:17].Cl>ClCCl>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([OH:8])=[C:6]([C:14](=[O:19])[CH2:15][CH:16]([CH3:18])[CH3:17])[CH:7]=1 | 2 |
[CH2:1]([O:8][C:9]1[C:14]([N+:15]([O-])=O)=[CH:13][CH:12]=[CH:11][N:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>C(OCCCC)(=O)C.[Pt]>[CH2:1]([O:8][C:9]1[C:14]([NH2:15])=[CH:13][CH:12]=[CH:11][N:10]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 2 |
[C:1]1([CH3:10])[CH:6]=[CH:5][CH:4]=[C:3]([C:7](=O)[CH3:8])[CH:2]=1.[NH2:11][C:12]1[S:13]/[C:14](=[CH:18]\[C:19]2[CH:24]=[C:23]([O:25][CH3:26])[C:22]([OH:27])=[C:21]([Cl:28])[CH:20]=2)/[C:15](=[O:17])[N:16]=1>>[Cl:28][C:21]1[CH:20]=[C:19](/[CH:18]=[C:14]2/[C:15](=[O:17])[N:16]3[CH:8]=[C:7]([C:3]4[CH:2]=[C:1]([CH3:10])[CH:6]=[CH:5][CH:4]=4)[N:11]=[C:12]3[S:13]/2)[CH:24]=[C:23]([O:25][CH3:26])[C:22]=1[OH:27] | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]([CH3:12])[C:9](O)=[O:10])[CH:5]=[CH:6][CH:7]=1.C([NH2:15])C.CS(Cl)(=O)=O>C1COCC1>[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]([CH3:12])[C:9]([NH2:15])=[O:10])[CH:5]=[CH:6][CH:7]=1 | 2 |
C(C)OC(=C(C#N)C#N)C1=CC=CC=C1>>NC1=C(C(=NO1)C1=CC=CC=C1)C#N | 5 |
BrC=1C(=CC(=NC1)N)F>O.N(=O)[O-].[Na+].O[PH2]=O>BrC=1C(=CC(=NC1)O)F | 3 |
C(OC([NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH:13]([NH:48][C:49](=[O:70])[CH2:50][CH2:51][NH:52][C:53]([C:55]1[CH:60]=[CH:59][C:58]([C:61]2[CH:66]=[CH:65][C:64]([CH2:67][CH2:68][CH3:69])=[CH:63][CH:62]=2)=[CH:57][CH:56]=1)=[O:54])[C:14]([N:16]([CH3:47])[C@H:17]1[C:34]2[CH:35]=[C:30]([C:31]([O:36][CH3:37])=[CH:32][CH:33]=2)[C:29]2=[CH:38][C:25](=[CH:26][CH:27]=[C:28]2[O:39][CH3:40])[CH2:24][C@@H:23]([C:41]([OH:43])=[O:42])[NH:22][C:21](=[O:44])[C@H:20]([CH3:45])[NH:19][C:18]1=[O:46])=[O:15])=O)(C)(C)C.[C:71]([OH:77])([C:73]([F:76])([F:75])[F:74])=[O:72]>C(Cl)Cl>[F:74][C:73]([F:76])([F:75])[C:71]([O-:77])=[O:72].[C:41]([C@@H:23]1[CH2:24][C:25]2[CH:38]=[C:29]([C:28]([O:39][CH3:40])=[CH:27][CH:26]=2)[C:30]2=[CH:35][C:34](=[CH:33][CH:32]=[C:31]2[O:36][CH3:37])[C@H:17]([N:16]([CH3:47])[C:14](=[O:15])[CH:13]([NH:48][C:49](=[O:70])[CH2:50][CH2:51][NH:52][C:53]([C:55]2[CH:56]=[CH:57][C:58]([C:61]3[CH:66]=[CH:65][C:64]([CH2:67][CH2:68][CH3:69])=[CH:63][CH:62]=3)=[CH:59][CH:60]=2)=[O:54])[CH2:12][CH2:11][CH2:10][CH2:9][NH3+:8])[C:18](=[O:46])[NH:19][C@@H:20]([CH3:45])[C:21](=[O:44])[NH:22]1)([OH:43])=[O:42] | 2 |
BrC=1C=NC=NC1.C(C=C)(=O)OC(C)(C)C>c3c(P(c1ccccc1)c2ccccc2)cccc3.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CCN(CC)CC>C(C)(C)(C)OC(C=CC=1C=NC=NC1)=O | 3 |
C1(=CC=CC=C1)C=O.NCC1C(C(C(O1)OC(C(NCCCNC(C(NC(C(NC(NC(C(=O)O)C(C)C)=O)C1NC(NCC1)=N)=O)C(C(C)C)O)=O)C(=O)O)C1OC(C(C1O)O)N1C(NC(C=C1)=O)=O)OC)O>>C(C1=CC=CC=C1)N(CCCNC(C(NC(C(NC(NC(C(=O)O)C(C)C)=O)C1NC(NCC1)=N)=O)C(C(C)C)O)=O)C(C(=O)O)[C@H]([C@H]1O[C@H]([C@@H]([C@@H]1O)O)N1C(NC(C=C1)=O)=O)OC1O[C@@H]([C@@H]([C@H]1OC)O)CNCC1=CC=CC=C1 | 5 |
SCC(C(CS)O)O.[CH3:9][O:10][CH2:11][CH2:12][C:13]([NH:15][C:16]1[S:17][C:18]2[CH:24]=[C:23]([S:25][C:26]#[N:27])[CH:22]=[CH:21][C:19]=2[N:20]=1)=[O:14].ClC1N2[N:34]=[C:35]([O:38][CH2:39][CH3:40])[CH:36]=[CH:37][C:32]2=[N:31][N:30]=1>O.C(O)C.O1CCCC1.P([O-])(O)(O)=O.[K+]>[CH2:39]([O:38][C:35]1[CH:36]=[CH:37][C:32]2[N:27]([C:26]([S:25][C:23]3[CH:22]=[CH:21][C:19]4[N:20]=[C:16]([NH:15][C:13](=[O:14])[CH2:12][CH2:11][O:10][CH3:9])[S:17][C:18]=4[CH:24]=3)=[N:30][N:31]=2)[N:34]=1)[CH3:40] | 1 |
[NH2:1][C:2]1[N:7]=[C:6]([C:8]2[CH:13]=[CH:12][C:11]([Cl:14])=[CH:10][CH:9]=2)[N:5]=[C:4]([C:15]([OH:17])=[O:16])[CH:3]=1.[Cl:18]N1C(=O)CCC1=O.O>CN(C)C=O>[NH2:1][C:2]1[N:7]=[C:6]([C:8]2[CH:9]=[CH:10][C:11]([Cl:14])=[CH:12][CH:13]=2)[N:5]=[C:4]([C:15]([OH:17])=[O:16])[C:3]=1[Cl:18] | 1 |
CN(CC(=O)NC1=C(C=C(C(=C1)[N+](=O)[O-])OC)C)C>CO[H].[HH].[Pd]>NC=1C(=CC(=C(C1)NC(CN(C)C)=O)C)OC | 3 |
BrC=1C=C2CC(NC2=CC1)=O.O[C@H](CN1C(C2=C(CCC1)NC(=C2C)C=O)=O)CN2CCOCC2>CCO[H].N1CCCCC1>BrC=1C=C2/C(/C(NC2=CC1)=O)=C/C1=C(C=2C(N(CCCC2N1)C[C@H](CN1CCOCC1)O)=O)C | 3 |
[NH2:1][C:2]1[S:3][CH:4]=[C:5]([CH2:7][C:8]([NH:10][C@@H:11]2[C:42](=[O:43])[N:13]3[C:14]([C:30]([O:32][CH:33]([O:35][C:36](=[O:41])[C:37]([CH3:40])([CH3:39])[CH3:38])[CH3:34])=[O:31])=[C:15]([CH2:18][S:19][C:20]4[N:24]([CH2:25][CH2:26][N:27]([CH3:29])[CH3:28])[N:23]=[N:22][N:21]=4)[CH2:16][S:17][C@H:12]23)=[O:9])[N:6]=1.[ClH:44]>C(OC(=O)C)C>[ClH:44].[ClH:44].[NH2:1][C:2]1[S:3][CH:4]=[C:5]([CH2:7][C:8]([NH:10][C@@H:11]2[C:42](=[O:43])[N:13]3[C:14]([C:30]([O:32][CH:33]([O:35][C:36](=[O:41])[C:37]([CH3:38])([CH3:40])[CH3:39])[CH3:34])=[O:31])=[C:15]([CH2:18][S:19][C:20]4[N:24]([CH2:25][CH2:26][N:27]([CH3:29])[CH3:28])[N:23]=[N:22][N:21]=4)[CH2:16][S:17][C@H:12]23)=[O:9])[N:6]=1 | 1 |
C1(CC1)N1N=NN=C1C=1C=C(C=CC1)C1NC2=CC=C(C=C2C(C1)(C)C)C(=O)O>N(C)(C)C=O.C(=O)(C=1NC=CN1)C=1NC=CN1.[H-].[Na+].CS(=O)(=O)N>C1(CC1)N1N=NN=C1C=1C=C(C=CC1)C1NC2=CC=C(C=C2C(C1)(C)C)C(=O)NS(=O)(=O)C | 3 |
ClCCN(C)CCCl.Cl.N1=CC=C(C=C1)CC#N>CS(=O)C.[H-].[Na+]>CN1CCC(CC1)(C#N)C1=CC=NC=C1 | 3 |
I[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[NH:8][C:9]([NH2:11])=[O:10].[C:12]([C:14]1[CH:15]=[C:16]([CH:18]=[CH:19][CH:20]=1)[NH2:17])#[CH:13].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(N(CC)CC)C>CN(C=O)C.C(OCC)(=O)C.[Cu]I.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>[NH2:17][C:16]1[CH:15]=[C:14]([C:12]#[C:13][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=2[NH:8][C:9]([NH2:11])=[O:10])[CH:20]=[CH:19][CH:18]=1 | 1 |
[CH3:1][CH2:2][CH2:3][C:4]1[C:5]2[N:14]=[C:13]([C:15]3[CH:16]=[C:17]([S:24]([N:27]4[CH2:32][CH2:31][N:30]([CH3:33])[CH2:29][CH2:28]4)(=[O:26])=[O:25])[CH:18]=[CH:19][C:20]=3[O:21][CH2:22][CH3:23])[NH:12][C:10](=[O:11])[C:6]=2[N:7]([CH3:9])[N:8]=1.C(C(O)(C(O)=O)CC(O)=O)C(O)=O>C(O)C.O>[CH3:1][CH2:2][CH2:3][C:4]1[C:5]2[N:14]=[C:13]([C:15]3[CH:16]=[C:17]([S:24]([N:27]4[CH2:32][CH2:31][N:30]([CH3:33])[CH2:29][CH2:28]4)(=[O:25])=[O:26])[CH:18]=[CH:19][C:20]=3[O:21][CH2:22][CH3:23])[NH:12][C:10](=[O:11])[C:6]=2[N:7]([CH3:9])[N:8]=1 | 2 |
FC1=C(N)C=C(C=C1)F.Br.BrC(C)C=1C=C(C=C2C(C=C(OC12)N1CCOCC1)=O)C(=O)N(C)C>>FC1=C(C=C(C=C1)F)NC(C)C=1C=C(C=C2C(C=C(OC12)N1CCOCC1)=O)C(=O)N(C)C | 3 |
N1=CC(=CC=C1)C(O)C1=C(C=C(C=C1)Cl)Cl>C(Cl)(Cl)(Cl)[H].ClS(Cl)=O>Cl.ClC(C1=C(C=C(C=C1)Cl)Cl)C=1C=NC=CC1 | 3 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.ClC1=C(CO)C=CC=C1.COC=1C=C2C(=NC=NC2=CC1OC)OC1=CC(=C(N)C=C1)[N+](=O)[O-]>>COC=1C=C2C(=NC=NC2=CC1OC)OC1=CC(=C(C=C1)NC(OCC1=C(C=CC=C1)Cl)=O)[N+](=O)[O-] | 5 |
ClC1=CC=C(C=C1)N=C=S.CCN1C=C(C(=O)C2=C1N=C(N=C2)N3CCNCC3)C(=O)O>>ClC1=CC=C(C=C1)NC(=S)N1CCN(CC1)C=1N=CC2=C(N1)N(C=C(C2=O)C(=O)O)CC | 3 |
CN(C1(CCC2(C(NCC2)=O)CC1)C=1SC=CC1)C>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>CN(C1(CCC2(CNCC2)CC1)C=1SC=CC1)C | 3 |
[F:1][C:2]1[CH:3]=[C:4]([C:9]([CH:16]([CH3:18])[CH3:17])([CH2:12][CH2:13][CH2:14]Cl)[C:10]#[N:11])[CH:5]=[CH:6][C:7]=1[F:8].[CH2:19](CN)[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1.C(=O)([O-])[O-].[K+].[K+].O.[CH3:35][N:36](C)C=O>>[F:1][C:2]1[CH:3]=[C:4]([C:9]([CH:16]([CH3:18])[CH3:17])([CH2:12][CH2:13][CH2:14][N:36]([CH3:35])[CH2:19][C:20]2[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=2)[C:10]#[N:11])[CH:5]=[CH:6][C:7]=1[F:8] | 1 |
C(CC(=O)O)(=O)O.C1(CC1)NC(=O)NC1=C(C=CC=C1)[N+](=O)[O-]>>C1(CC1)N1C(N(C(CC1=O)=O)C1=CC(=CC=C1)[N+](=O)[O-])=O | 5 |
[I-:1].[Na+].Br[CH2:4][CH2:5][CH2:6][O:7][C:8]1[CH:13]=[CH:12][C:11]([C:14]2[CH:19]=[CH:18][C:17]([C:20]([O:22][CH2:23][CH3:24])=[O:21])=[CH:16][CH:15]=2)=[CH:10][C:9]=1[C:25]1[CH:34]=[CH:33][C:32]2[C:31]([CH3:36])([CH3:35])[CH2:30][CH2:29][C:28]([CH3:38])([CH3:37])[C:27]=2[CH:26]=1>CC(C)=O>[I:1][CH2:4][CH2:5][CH2:6][O:7][C:8]1[CH:13]=[CH:12][C:11]([C:14]2[CH:19]=[CH:18][C:17]([C:20]([O:22][CH2:23][CH3:24])=[O:21])=[CH:16][CH:15]=2)=[CH:10][C:9]=1[C:25]1[CH:34]=[CH:33][C:32]2[C:31]([CH3:36])([CH3:35])[CH2:30][CH2:29][C:28]([CH3:38])([CH3:37])[C:27]=2[CH:26]=1 | 1 |
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