smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH:1]1[C:6](=[O:7])[C:5]([OH:8])=[CH:4][O:3][C:2]=1[CH2:9][OH:10].C(=O)([O-])[O-].[K+].[K+].[CH3:17][O:18][C:19]1[CH:26]=[CH:25][C:22]([CH2:23]Br)=[CH:21][CH:20]=1>CN(C)C=O.O>[CH3:17][O:18][C:19]1[CH:26]=[CH:25][C:22]([CH2:23][O:8][C:5]2[C:6](=[O:7])[CH:1]=[C:2]([CH2:9][OH:10])[O:3][CH:4]=2)=[CH:21][CH:20]=1 | 1 |
[CH3:1][C:2]1[C:7]([Br:8])=[CH:6][CH:5]=[CH:4][C:3]=1[N:9]1[C:13](=[O:14])[N:12]([CH3:15])[N:11]=[N:10]1.N(C1(C#N)CCCCC1)=NC1(C#N)CCCCC1.[Br:34]N1C(=O)CCC1=O.ClC1C=CC=CC=1>O>[Br:34][CH2:1][C:2]1[C:7]([Br:8])=[CH:6][CH:5]=[CH:4][C:3]=1[N:9]1[C:13](=[O:14])[N:12]([CH3:15])[N:11]=[N:10]1 | 1 |
O1COC2=C1C=CC(=C2)OC2=CC(=C(C(=C2)C)C(C)=O)C>CC#N.[Br-].[Br-].[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC>O1COC2=C1C=CC(=C2)OC2=CC(=C(C(=C2)C)C(CBr)=O)C | 3 |
ClC=1N=CC2=C(N1)N(C(=C2)C=O)C2(CCOCC2)CNC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>ClC=1N=CC2=C(N1)N1C(=C2)C=NCC12CCOCC2 | 3 |
NC(C1=CC=C(C=C1)OC(F)(F)F)=NOC(CN(C(=O)C=1N=CN(C1)C)C1CCC1)=O>>C1(CCC1)N(C(=O)C=1N=CN(C1)C)CC1=NC(=NO1)C1=CC=C(C=C1)OC(F)(F)F | 5 |
CI.BrC1=CC(=C(C=C1C)O)F>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC1=C(C=C(C(=C1)F)OC)C | 3 |
[CH2:1]([CH:3]([CH2:6][CH2:7][CH2:8][CH3:9])[CH:4]=[O:5])[CH3:2].[CH2:10]=[O:11].[OH-].[Na+]>CO>[CH3:9][CH2:8][CH2:7][CH2:6][C:3]([CH2:10][OH:11])([CH2:4][OH:5])[CH2:1][CH3:2] | 1 |
[F:1][C:2]1[CH:10]=[CH:9][C:5]([C:6](Cl)=[O:7])=[CH:4][CH:3]=1.O=P12OP3(OP(OP(O3)(O1)=O)(=O)O2)=O.C[Si]([C:29]#[N:30])(C)C.[Sn](Cl)(Cl)(Cl)Cl>CCCCC.C(Cl)Cl>[F:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([C:29]#[N:30])=[O:7])=[CH:4][CH:3]=1 | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.CN.C1CCOC1>ClCCl.CCN(CC)CC>C(C)(C)(C)OC(NC)=O | 3 |
[NH2:1][N:2]1[CH:6]=[C:5]([C:7]([O:9][CH2:10][CH3:11])=[O:8])[CH:4]=[C:3]1[C:12]([O:14]CC)=O.C(O[C:20](OCC)([CH3:23])[C:21]#[N:22])C.CC1C=CC(S(O)(=O)=O)=CC=1.C1CCN2C(=NCCC2)CC1>C(Cl)Cl>[C:21]([C:20]1[CH:23]=[N:1][N:2]2[CH:6]=[C:5]([C:7]([O:9][CH2:10][CH3:11])=[O:8])[CH:4]=[C:3]2[C:12]=1[OH:14])#[N:22] | 1 |
C(C)OC1=C(C(=CC=C1)F)F.O1CCOC12CCC(CC2)C2CCC(CC2)=O>C1CCCO1.C(C)(CC)[Li]>O1CCOC12CCC(CC2)C2CCC(CC2)(O)C2=C(C(=C(C=C2)OCC)F)F | 3 |
[CH3:1][C:2]1[NH:3][C:4](=[S:8])[O:5][C:6]=1[CH3:7].C(N1C(=O)C2=CC=CC=[C:13]2[C:12]1=[S:21])C>>[CH3:1][C:2]1[N:3]=[C:4]([S:8][S:21][CH2:12][CH3:13])[O:5][C:6]=1[CH3:7] | 1 |
C(C)(C)(C)OC(=O)N1C[C@@H](CCC1)N.ClC1=NC(=NC=C1[N+](=O)[O-])C1=CN=C2N1C=C(C=C2)F>C1CCCO1.C(C)(C)N(C(C)C)CC>FC=1C=CC=2N(C1)C(=CN2)C2=NC=C(C(=N2)N[C@H]2CN(CCC2)C(=O)OC(C)(C)C)[N+](=O)[O-] | 3 |
Cl[C:2]1[N:7]=[C:6]([NH:8][CH:9]2[CH2:14][CH2:13][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:11][CH:10]2[CH2:22][CH3:23])[C:5]([Cl:24])=[CH:4][N:3]=1.CCN(C(C)C)C(C)C.Cl.[CH3:35][N:36]1[CH:40]=[C:39]([NH2:41])[C:38]([CH3:42])=[N:37]1>CCCCO>[Cl:24][C:5]1[C:6]([NH:8][CH:9]2[CH2:14][CH2:13][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:11][CH:10]2[CH2:22][CH3:23])=[N:7][C:2]([NH:41][C:39]2[C:38]([CH3:42])=[N:37][N:36]([CH3:35])[CH:40]=2)=[N:3][CH:4]=1 | 2 |
ClC=1C=C(C(=O)OC)C=CC1CC>C1CCCO1.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>ClC=1C=C(C=CC1CC)CO | 3 |
[C:1]1([C:7]([C:37]2[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=2)([CH:9]2[CH2:14][CH2:13][N:12]([CH2:15][CH2:16][C:17]3[CH:22]=[CH:21][C:20]([C:23]4([CH2:27]S(C5C=CC=CC=5)(=O)=O)[CH2:26][O:25][CH2:24]4)=[CH:19][CH:18]=3)[CH2:11][CH2:10]2)[OH:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[Mg]>CO>[CH3:27][C:23]1([C:20]2[CH:19]=[CH:18][C:17]([CH2:16][CH2:15][N:12]3[CH2:11][CH2:10][CH:9]([C:7]([C:1]4[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=4)([C:37]4[CH:38]=[CH:39][CH:40]=[CH:41][CH:42]=4)[OH:8])[CH2:14][CH2:13]3)=[CH:22][CH:21]=2)[CH2:26][O:25][CH2:24]1 | 2 |
[NH2:1][C:2]1[S:3][C:4]([CH:7]=[O:8])=[CH:5][N:6]=1.C([O-])([O-])=O.[K+].[K+].Cl.Cl[CH2:17][CH2:18][N:19]([CH2:21][CH2:22]Cl)[CH3:20]>CN(C=O)C>[CH3:20][N:19]1[CH2:21][CH2:22][N:1]([C:2]2[S:3][C:4]([CH:7]=[O:8])=[CH:5][N:6]=2)[CH2:17][CH2:18]1 | 1 |
FC(C1=C(OC2CCN(CC2)C2=CC=C(N=N2)C(=O)O)C=CC=C1)(F)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.[Cl-].[NH4+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC(C1=C(OC2CCN(CC2)C2=CC=C(N=N2)C(=O)N)C=CC=C1)(F)F | 3 |
[CH3:1][C:2]1[N:3]=[C:4]([C:32]([OH:34])=O)[S:5][C:6]=1[C:7]1[CH:8]=[CH:9][C:10]2[N:11]([C:13]([C:16](=[O:31])[NH:17][C:18]3[CH:23]=[C:22]([C:24]4[N:28]=[C:27]([CH3:29])[O:26][N:25]=4)[CH:21]=[CH:20][C:19]=3[CH3:30])=[CH:14][N:15]=2)[CH:12]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.[NH2:68][CH2:69][CH2:70][OH:71]>CN(C=O)C>[OH:71][CH2:70][CH2:69][NH:68][C:32]([C:4]1[S:5][C:6]([C:7]2[CH:8]=[CH:9][C:10]3[N:11]([C:13]([C:16](=[O:31])[NH:17][C:18]4[CH:23]=[C:22]([C:24]5[N:28]=[C:27]([CH3:29])[O:26][N:25]=5)[CH:21]=[CH:20][C:19]=4[CH3:30])=[CH:14][N:15]=3)[CH:12]=2)=[C:2]([CH3:1])[N:3]=1)=[O:34] | 2 |
NC1=C(C(=CC=C1Br)OC)NC(C1=CC=C(C=C1)C(C)C)=O>C(C)(=O)O>BrC1=CC=C(C=2NC(=NC21)C2=CC=C(C=C2)C(C)C)OC | 3 |
ClC=1C=C(N)C=CC1F.BrC1=C(C=C2C(=NC=NC2=C1)Cl)[N+](=O)[O-]>C(C)(C)O>BrC1=C(C=C2C(=NC=NC2=C1)NC1=CC(=C(C=C1)F)Cl)[N+](=O)[O-] | 3 |
C(CCC)C1=CC=C(C=C1)B(O)O.COC(C1=CC=C(C=C1)C=1NC2=C(C(=CC=C2C1)Cl)F)=O>[Pd].O1CCOCC1.[OH-].[Li+].C(=O)([O-])[O-].[Cs+].[Cs+]>C(CCC)C1=CC=C(C=C1)C1=CC=C2C=C(NC2=C1F)C1=CC=C(C(=O)O)C=C1 | 3 |
C[Si](Cl)(Cl)C.C1(=CC=CC=C1)C1=CCC=2C=C3CCCC3=CC12.[Li][Li]>>Cl[Si](C1C=C(C2=CC=3CCCC3C=C12)C1=CC=CC=C1)(C)C | 5 |
CC1(OB(OC1(C)C)C=1C=NNC1)C>CC#N.C(=O)([O-])[O-].[Cs+].[Cs+].C1=CC=CC2=CC=CC=C12>C1=C(C=CC2=CC=CC=C12)CN1N=CC(=C1)B1OC(C(O1)(C)C)(C)C | 3 |
BrCC(=O)OC(C)(C)C.FC(CN1CCC2(CC1)CNC1=CC=CC=C12)(F)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[I-].[K+]>C(C)(C)(C)OC(CN1CC2(CCN(CC2)CC(F)(F)F)C2=CC=CC=C12)=O | 3 |
C(C1=CC=CC=C1)Br.OC[C@@H](C(=O)O)NC(=O)OC(C)(C)C>>C(=O)(OC(C)(C)C)N[C@@H](COCC1=CC=CC=C1)C(=O)O | 5 |
C[Si](C)(C)[O:3][C:4]1[CH2:11][C:8]2([CH2:10][CH2:9]2)[CH:7]([C:12]([O:14][CH2:15][CH3:16])=[O:13])[CH2:6][CH:5]=1.[F-].[K+]>CO>[O:3]=[C:4]1[CH2:11][C:8]2([CH2:9][CH2:10]2)[CH:7]([C:12]([O:14][CH2:15][CH3:16])=[O:13])[CH2:6][CH2:5]1 | 1 |
Cl.NOCCO.N1=CC=CC2=CC(=CC=C12)C1(CC1)C1=NN=C2N1N=C(C=C2)C(C)=O>>OCCO\N=C(/C)\C=1C=CC=2N(N1)C(=NN2)C2(CC2)C=2C=C1C=CC=NC1=CC2 | 5 |
ClC1=CC=C(C=C1)C(C=1C=C2C(=NC(=NC2=CC1)OC)NC1CCN(CC1)C(=O)OC(C)(C)C)(O)C1=CC=C(C=C1)Cl>>ClC1=CC=C(C=C1)C(C=1C=C2C(=NC(=NC2=CC1)OC)NC1CCNCC1)C1=CC=C(C=C1)Cl | 5 |
C1C(OCC(O1)O)O.C(C)(C)(C)N1N=CC(=C1)C(=O)NCC1=C(C=C(C=C1)C1=NC=NC(=C1)NC1=NN2C(CNCC2)=C1)C>CCN(CC)CC.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C(C)(C)(C)N1N=CC(=C1)C(=O)NCC1=C(C=C(C=C1)C1=NC=NC(=C1)NC1=NN2C(CN(CC2)CCO)=C1)C | 3 |
FC(C1=CC=C(C=O)C=C1)(F)F.NC1=NC(=NN1)NC1=CC(=C(C#N)C(=C1)Cl)Cl>>ClC1=C(C#N)C(=CC(=C1)NC1=NNC(=N1)NCC1=CC=C(C=C1)C(F)(F)F)Cl | 5 |
[NH2:1][C:2]1[N:27]=[C:5]2[CH:6]=[CH:7][C:8]([O:10][C:11]3[CH:12]=[C:13]([NH:17][C:18]([C:20]4[N:24]([CH3:25])[N:23]=[C:22]([CH3:26])[CH:21]=4)=[O:19])[CH:14]=[CH:15][CH:16]=3)=[CH:9][N:4]2[N:3]=1.C(N(CC)CC)C.[CH:35]1([C:38](Cl)=[O:39])[CH2:37][CH2:36]1>O1CCCC1.O>[CH:35]1([C:38]([NH:1][C:2]2[N:27]=[C:5]3[CH:6]=[CH:7][C:8]([O:10][C:11]4[CH:12]=[C:13]([NH:17][C:18]([C:20]5[N:24]([CH3:25])[N:23]=[C:22]([CH3:26])[CH:21]=5)=[O:19])[CH:14]=[CH:15][CH:16]=4)=[CH:9][N:4]3[N:3]=2)=[O:39])[CH2:37][CH2:36]1 | 1 |
O1CCCC=C1.ClC1=C(C(=CC=C1)I)O>ClCCl.C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>ClC1=C(OC2OCCCC2)C(=CC=C1)I | 3 |
CN=C=O.ClC1=C(C(=CC=C1)OC)C1C(NC(O1)=O)=O>CCN(CC)CC.ClCCCl>ClC1=C(C(=CC=C1)OC)C1C(N(C(O1)=O)C(NC)=O)=O | 3 |
[F:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([OH:11])=[N:7][NH:8]2)=[CH:4][CH:3]=1.[F:12][C:13]([F:24])([F:23])[CH:14]1[CH2:19][CH2:18][N:17]([C:20](Cl)=[O:21])[CH2:16][CH2:15]1>>[F:12][C:13]([F:24])([F:23])[CH:14]1[CH2:19][CH2:18][N:17]([C:20]([O:11][C:6]2[C:5]3[C:9](=[CH:10][C:2]([F:1])=[CH:3][CH:4]=3)[N:8]([C:20]([N:17]3[CH2:16][CH2:15][CH:14]([C:13]([F:23])([F:12])[F:24])[CH2:19][CH2:18]3)=[O:21])[N:7]=2)=[O:21])[CH2:16][CH2:15]1 | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)(NC1=CC=C(C=C1)C(=O)OC)C#N>O(O[H])[H].CO[H].[OH-].[Na+].[HH]>C(C)(C)(C)OC(=O)N1CCC(CC1)(NC1=CC=C(C=C1)C(=O)OC)C(N)=O | 3 |
FC1=C(C#N)C=C(C=C1)O.S1C=NC2=C1C=CC(=C2)B(O)O>ClCCl.CCN(CC)CC.C(C)(=O)[O-].[Cu+2].C(C)(=O)[O-]>S1C=NC2=C1C=CC(=C2)OC=2C=CC(=C(C#N)C2)F | 3 |
C(=O)(O)C1=NC=C(N=C1Cl)Cl.[N+](=O)([O-])C1=CC=CC(=N1)S(=O)(=O)N>>ClC=1C(=NC=C(N1)Cl)C(=O)NS(=O)(=O)C1=NC(=CC=C1)[N+](=O)[O-] | 5 |
[CH2:1]([C:8]1[C:9](F)=[N:10][CH:11]=[C:12]([CH3:14])[CH:13]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.[O:17]1CCOCC1>O>[CH2:1]([C:8]1[C:9](=[O:17])[NH:10][CH:11]=[C:12]([CH3:14])[CH:13]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
COC(CN1N=CC2=CC(=CC=C12)N1C(C=C(C=C1)C1=CC=C(C=C1)C(F)(F)F)=O)OC>>O=C1N(C=CC(=C1)C1=CC=C(C=C1)C(F)(F)F)C=1C=C2C=NN(C2=CC1)CC=O | 5 |
O=C1CCCC(N1)CCC(=O)OCC>O.C1CCCO1.[OH-].[Na+]>O=C1CCCC(N1)CCC(=O)O | 3 |
I[C:2]1[CH:7]=[CH:6][C:5]([S:8]([NH:11][C:12]2[CH:17]=[CH:16][C:15]([NH:18][C:19](=[O:25])[O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[C:14]([O:26][CH3:27])[CH:13]=2)(=[O:10])=[O:9])=[CH:4][CH:3]=1.[F:28][C:29]1[CH:43]=[CH:42][C:32]([CH2:33][O:34][CH2:35][C:36]([NH:38][CH2:39][C:40]#[CH:41])=[O:37])=[CH:31][CH:30]=1.C(N(CC)CC)C.FC1C=CC(COCC(NCC#CC2C=CC(S(=O)(=O)NC3C=C(OC)C(OC)=C(OC)C=3)=CC=2)=O)=CC=1>C(#N)C.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.[Cu]I>[F:28][C:29]1[CH:30]=[CH:31][C:32]([CH2:33][O:34][CH2:35][C:36]([NH:38][CH2:39][C:40]#[C:41][C:2]2[CH:3]=[CH:4][C:5]([S:8]([NH:11][C:12]3[CH:17]=[CH:16][C:15]([NH:18][C:19](=[O:25])[O:20][C:21]([CH3:23])([CH3:24])[CH3:22])=[C:14]([O:26][CH3:27])[CH:13]=3)(=[O:10])=[O:9])=[CH:6][CH:7]=2)=[O:37])=[CH:42][CH:43]=1 | 2 |
N1=CC=CC2=CC=CC(=C12)C(=O)O.CC1=NC(=NC(=C1)C)N1CC2CNCC2C1>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>CC1=NC(=NC(=C1)C)N1CC2C(C1)CN(C2)C(=O)C=2C=CC=C1C=CC=NC21 | 3 |
S(N1C(C=2C(C1=O)=CC=CC2)=O)N2C(C=1C(C2=O)=CC=CC1)=O.Cl.Cl.Cl.N1(CCCCC1)CC1=CC=CC(=N1)OCCCNC(C(N)=N)=N>ClCCl.CCN(CC)CC>NC1=NSN=C1NCCCOC1=NC(=CC=C1)CN1CCCCC1 | 3 |
[O:1]1[C:6]2[CH:7]=[CH:8][C:9]([CH2:11][NH:12][CH2:13][CH2:14][CH2:15][N:16]([C:18]3[S:22][N:21]=[C:20]([N:23]4[CH:27]=[CH:26][N:25]=[CH:24]4)[N:19]=3)[CH3:17])=[CH:10][C:5]=2[O:4][CH2:3][CH2:2]1.[CH2:28]=O>>[O:1]1[C:6]2[CH:7]=[CH:8][C:9]([CH2:11][N:12]([CH3:28])[CH2:13][CH2:14][CH2:15][N:16]([C:18]3[S:22][N:21]=[C:20]([N:23]4[CH:27]=[CH:26][N:25]=[CH:24]4)[N:19]=3)[CH3:17])=[CH:10][C:5]=2[O:4][CH2:3][CH2:2]1 | 2 |
FC(/C=C/C(=O)O)(F)F.C(C)C=1C(=NC=NC1C)NC(CN)CC>>C(C)C=1C(=NC=NC1C)NC(CNC(\C=C\C(F)(F)F)=O)CC | 5 |
[NH2:1][CH2:2][CH2:3][CH2:4][C:5]1[CH:10]=[CH:9][C:8]([S:11]([NH:14][C:15]2[CH:23]=[CH:22][C:18]3[O:19][CH2:20][O:21][C:17]=3[CH:16]=2)(=[O:13])=[O:12])=[CH:7][CH:6]=1.C(N(CC)CC)C.[F:31][C:32]1[CH:43]=[CH:42][C:35]([CH2:36][O:37][CH2:38][C:39](Cl)=[O:40])=[CH:34][CH:33]=1.COC1C=C(S(N2CCC(CCCNC(=O)COCC3C=CC(F)=CC=3)C2)(=O)=O)C=CC=1OC>C1COCC1>[O:19]1[C:18]2[CH:22]=[CH:23][C:15]([NH:14][S:11]([C:8]3[CH:9]=[CH:10][C:5]([CH2:4][CH2:3][CH2:2][NH:1][C:39](=[O:40])[CH2:38][O:37][CH2:36][C:35]4[CH:42]=[CH:43][C:32]([F:31])=[CH:33][CH:34]=4)=[CH:6][CH:7]=3)(=[O:13])=[O:12])=[CH:16][C:17]=2[O:21][CH2:20]1 | 2 |
[N+](=O)([O-])C1=C(C(=CC=C1)[N+](=O)[O-])C.O.S(=O)(=O)(O)O>Br(=O)(=O)[O-].[K+]>BrC=1C=C(C(=C(C1)[N+](=O)[O-])C)[N+](=O)[O-] | 3 |
COC(=O)C=1SC(=CC1N)C#CC(C)(C)C.COP1(CCC(CC1)=O)=O>>CC(C#CC1=CC(=C(S1)C(=O)OC)NC1CCP(CC1)(=O)OC)(C)C | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC=1C=C(C(=CC1)N)N>CCO[H]>C(C)(C)(C)OC(NC1=C(C=CC(=C1)Br)NC(=O)OC(C)(C)C)=O | 3 |
[CH2:1]([NH:4][CH2:5][CH:6]=[CH2:7])[CH:2]=[CH2:3].[CH2:8]1[O:10][CH2:9]1>>[CH2:1]([N:4]([CH:9]([OH:10])[CH3:8])[CH2:5][CH:6]=[CH2:7])[CH:2]=[CH2:3] | 1 |
OCC1N(CCC(C1)OC1OCCCC1)C(=O)OC(C)(C)C>>C(C)(=O)OCC1N(CCC(C1)OC1OCCCC1)C(=O)OC(C)(C)C | 5 |
[CH2:1]([O:8][C:9]([N:11]1[CH2:16][C@H:15]([O:17][CH2:18][C:19]2[CH:20]=[CH:21][C:22]3[O:27][CH2:26][CH2:25][N:24]([CH2:28][CH2:29][CH2:30][O:31][CH3:32])[C:23]=3[CH:33]=2)[C@@H:14]([C:34]2[CH:39]=[CH:38][C:37]([CH2:40][O:41][CH2:42][C@@H:43]([CH3:47])[CH2:44][O:45][CH3:46])=[CH:36][CH:35]=2)[C@H:13]([CH2:48][OH:49])[CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:50](Cl)(=[O:52])[CH3:51]>>[CH2:1]([O:8][C:9]([N:11]1[CH2:16][C@H:15]([O:17][CH2:18][C:19]2[CH:20]=[CH:21][C:22]3[O:27][CH2:26][CH2:25][N:24]([CH2:28][CH2:29][CH2:30][O:31][CH3:32])[C:23]=3[CH:33]=2)[C@@H:14]([C:34]2[CH:39]=[CH:38][C:37]([CH2:40][O:41][CH2:42][C@@H:43]([CH3:47])[CH2:44][O:45][CH3:46])=[CH:36][CH:35]=2)[C@H:13]([CH2:48][O:49][C:50](=[O:52])[CH3:51])[CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
O[C@@H](CCC=O)CC#CCOC1OCCCC1>CO[H].[Na+].[BH4-]>O1C(CCCC1)OCC#CC[C@H](CCCO)O | 3 |
C(C1=CC=CC=C1)C1(CC(C1)(F)F)C(=O)O>CCN(CC)CC.[HH].CC(C)(C)O.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>FC1(CC(C1)NC(OC(C)(C)C)=O)F | 3 |
NC=1SC2=C(N1)C=CC=C2.N(=C=O)C(=O)OC>ClCCl>S1C(=NC2=C1C=CC=C2)NC(NC(=O)OC)=O | 3 |
ClCC(=O)Cl.ClC=1C=C(C=CC1C(=O)N1CCNCC1)NC(=O)C=1N(C(=CN1)C1=C(C(=C(C=C1)OC)F)F)C>O.ClCCl.C(C)(C)N(C(C)C)CC>ClC=1C=C(C=CC1C(=O)N1CCN(CC1)C(CCl)=O)NC(=O)C=1N(C(=CN1)C1=C(C(=C(C=C1)OC)F)F)C | 3 |
[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.Cl[C:37]1[N:42]=[CH:41][C:40]([F:43])=[CH:39][N:38]=1>>[F:43][C:40]1[CH:39]=[N:38][C:37]([C:16]2[CH:17]=[CH:18][C:13]([C@@H:11]([N:7]3[CH2:6][CH2:5][C@:4]([CH2:3][C:2]([OH:1])([CH3:34])[CH3:35])([C:28]4[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=4)[O:9][C:8]3=[O:10])[CH3:12])=[CH:14][CH:15]=2)=[N:42][CH:41]=1 | 1 |
[CH3:1][CH:2]([CH3:11])[CH:3]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)[NH2:4].F[C:13]1[CH:18]=[C:17]([F:19])[CH:16]=[CH:15][C:14]=1[N+:20]([O-:22])=[O:21].C(N(CC)C(C)C)(C)C>C(#N)C>[F:19][C:17]1[CH:16]=[CH:15][C:14]([N+:20]([O-:22])=[O:21])=[C:13]([NH:4][CH:3]([C:5]2[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=2)[CH:2]([CH3:11])[CH3:1])[CH:18]=1 | 1 |
O[C@@H:2]([C:8]([CH3:16])=[CH:9][C:10]1[N:11]=[C:12]([CH3:15])[S:13][CH:14]=1)[CH2:3][CH:4]=[C:5]([I:7])[CH3:6].C1(P([N:31]=[N+:32]=[N-:33])(C2C=CC=CC=2)=O)C=CC=CC=1.N12CCCN=C1CCCCC2>C1(C)C=CC=CC=1.C(OCC)(=O)C>[N:31]([C@H:2]([C:8]([CH3:16])=[CH:9][C:10]1[N:11]=[C:12]([CH3:15])[S:13][CH:14]=1)[CH2:3][CH:4]=[C:5]([I:7])[CH3:6])=[N+:32]=[N-:33] | 1 |
Br[C:2]1[N:3]=[CH:4][C:5]([NH:8][C:9]2[CH:13]=[C:12]([C:14]3[C:31]([O:32][CH3:33])=[CH:30][CH:29]=[CH:28][C:15]=3[O:16][CH2:17][CH2:18][CH2:19][NH:20][C:21](=[O:27])[O:22][C:23]([CH3:26])([CH3:25])[CH3:24])[NH:11][N:10]=2)=[N:6][CH:7]=1.[CH3:34][N:35](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>[C:34]([C:2]1[N:3]=[CH:4][C:5]([NH:8][C:9]2[CH:13]=[C:12]([C:14]3[C:31]([O:32][CH3:33])=[CH:30][CH:29]=[CH:28][C:15]=3[O:16][CH2:17][CH2:18][CH2:19][NH:20][C:21](=[O:27])[O:22][C:23]([CH3:25])([CH3:24])[CH3:26])[NH:11][N:10]=2)=[N:6][CH:7]=1)#[N:35] | 1 |
N=1C=CN2N=CC(=CC21)C=2C=C(C(=O)NC)C=CC2>>BrC1=CN=C2N1N=CC(=C2)C=2C=C(C(=O)NC)C=CC2 | 5 |
ClC1=CC=C(C=C1)NC1=C(C=CC=C1)C#CC.N(=[N+]=[N-])[C@@H](C(=O)Cl)C>C([O-])([O-])=O.[K+].[K+].O1CCOCC1>ClC1=CC=C(C=C1)N1C([C@H](N2C(C3=C1C=CC=C3)=C(N=N2)C)C)=O | 3 |
C1(=CC=CC=C1)C=1C=C2C=CNC2=C(C1)C(=O)N>ClCCl.IN1C(CCC1=O)=O>IC1=CNC2=C(C=C(C=C12)C1=CC=CC=C1)C(=O)N | 3 |
[C:1]([OH:5])(=[O:4])[CH:2]=[O:3].[F:6][C:7]([F:20])([F:19])[C:8]1[CH:9]=[C:10]([CH:16]=[CH:17][CH:18]=1)[CH2:11][NH:12][CH2:13][CH2:14]O.O>O1CCCC1>[OH:4][CH:1]1[O:5][CH2:14][CH2:13][N:12]([CH2:11][C:10]2[CH:16]=[CH:17][CH:18]=[C:8]([C:7]([F:6])([F:19])[F:20])[CH:9]=2)[C:2]1=[O:3] | 2 |
ClC=1NC=C(N1)[N+](=O)[O-].CC1(OC1)CCC(=O)OC(C)(C)C>CCO[H].C(C)(=O)[O-].[Na+]>ClC=1N(C=C(N1)[N+](=O)[O-])CC(CCC(=O)OC(C)(C)C)(C)O | 3 |
[NH2:1][C:2]1[C:44]([NH2:45])=[CH:43][CH:42]=[CH:41][C:3]=1[C:4]([NH:6][C:7]1[CH:38]=[CH:37][C:10]([C:11]([N:13]([CH3:36])[C:14]2[CH:19]=[CH:18][C:17]([CH3:20])=[CH:16][C:15]=2[O:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][C:27]([N:29]2[CH2:34][CH2:33][N:32]([CH3:35])[CH2:31][CH2:30]2)=[O:28])=[O:12])=[CH:9][C:8]=1[O:39][CH3:40])=[O:5].[C:46](OC)(OC)(OC)[O:47][CH3:48]>C(O)(=O)C>[CH3:46][O:47][C:48]1[NH:45][C:44]2[CH:43]=[CH:42][CH:41]=[C:3]([C:4]([NH:6][C:7]3[CH:38]=[CH:37][C:10]([C:11]([N:13]([CH3:36])[C:14]4[CH:19]=[CH:18][C:17]([CH3:20])=[CH:16][C:15]=4[O:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][C:27]([N:29]4[CH2:34][CH2:33][N:32]([CH3:35])[CH2:31][CH2:30]4)=[O:28])=[O:12])=[CH:9][C:8]=3[O:39][CH3:40])=[O:5])[C:2]=2[N:1]=1 | 1 |
ClC1=CC=C(C=N1)CN.FC1=NC=CC(=C1)B(O)O>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CC(CC)O.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].COC1=C(C(=CC=C1)OC)C1=C(C=CC=C1)P(C1CCCCC1)C1CCCCC1>FC1=NC=CC(=C1)C1=NC=C(C=C1)CN | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)NC1=C2C(=NC=C1[N+](=O)[O-])N(C=C2)S(=O)(=O)C2=CC=CC=C2.CC1=NOC=C1CC(=O)O>>C(C)(C)(C)OC(=O)N1CCC(CC1)NC1=C2C(=NC=C1NC(CC=1C(=NOC1)C)=O)N(C=C2)S(=O)(=O)C2=CC=CC=C2 | 5 |
[OH-].[Na+].[Cl:3][C:4]1[CH:9]=[CH:8][C:7]([C:10]2[C:15]([CH:16]([CH2:21][CH2:22][CH3:23])[C:17]([O:19]C)=[O:18])=[C:14]([CH3:24])[N:13]=[C:12]([C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=3)[N:11]=2)=[C:6]([O:31][CH3:32])[CH:5]=1>CO>[Cl:3][C:4]1[CH:9]=[CH:8][C:7]([C:10]2[C:15]([CH:16]([CH2:21][CH2:22][CH3:23])[C:17]([OH:19])=[O:18])=[C:14]([CH3:24])[N:13]=[C:12]([C:25]3[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=3)[N:11]=2)=[C:6]([O:31][CH3:32])[CH:5]=1 | 1 |
S(C#N)C1=CC=C(C(=C1)C1=CC=CC=C1)O>CCO[H].Cl.O.O.O.O.O.O.O.O.O.[S-2].[Na+].[Na+]>SC1=CC=C(C(=C1)C1=CC=CC=C1)O | 3 |
ClC1=C(C(=CC=C1)[N+](=O)[O-])SCC(=O)O>C(C)(=O)OC(C)=O.C(C)(=O)[O-].[Na+]>C(C)(=O)N1C(SC2=C1C=CC=C2Cl)=O | 3 |
ClC1=NC=C(C(=C1)N)I.C(C)O/C=C/B(\C=C\OCC)\C=C\OCC>>ClC1=NC=C(C(=C1)N)\C=C\OCC | 5 |
[N:1]1[C:8](Cl)=[N:7][C:5](Cl)=[N:4][C:2]=1Cl.[NH:10]1[CH2:15][CH2:14][O:13][CH2:12][CH2:11]1.[OH-:16].[Na+].[NH:18]1[CH2:23][CH2:22][NH:21][CH2:20][CH2:19]1>O>[N:10]1([C:2]2[N:4]=[C:5]([N:10]3[CH2:15][CH2:14][O:16][CH2:12][CH2:11]3)[N:7]=[C:8]([N:18]3[CH2:23][CH2:22][N:21]([C:2]4[N:4]=[C:5]([N:10]5[CH2:15][CH2:14][O:13][CH2:12][CH2:11]5)[N:7]=[C:8]([N:10]5[CH2:15][CH2:14][O:13][CH2:12][CH2:11]5)[N:1]=4)[CH2:20][CH2:19]3)[N:1]=2)[CH2:15][CH2:14][O:13][CH2:12][CH2:11]1 | 1 |
[OH:1][CH:2]([C:26]1[N:27]=[C:28]([C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)[S:29][CH:30]=1)[CH:3]([NH:18]C(=O)OC(C)(C)C)[CH2:4][C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([O:11][C:12]([F:17])([F:16])[CH:13]([F:15])[F:14])[CH:6]=1.FC(F)(F)C(O)=O>C(Cl)(Cl)Cl>[NH2:18][CH:3]([CH2:4][C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([O:11][C:12]([F:16])([F:17])[CH:13]([F:14])[F:15])[CH:6]=1)[CH:2]([C:26]1[N:27]=[C:28]([C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)[S:29][CH:30]=1)[OH:1] | 1 |
CC1=C(C(=O)N)C=CC(=C1)C1=NC=CC(=C1)C(C1=CC(=CC=C1)C(F)(F)F)=O>[Na+].[BH4-].CCO[H]>OC(C1=CC(=NC=C1)C1=CC(=C(C(=O)N)C=C1)C)C1=CC(=CC=C1)C(F)(F)F | 3 |
BrC1=C(C(=C2C(NC=NC2=C1)=O)OCCNCCC(=O)N)Cl>CC#N.C1CCC2=NCCCN2CC1.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>BrC=1C(=C2C=3C(=NC=NC3C1)N(CCO2)CCC(=O)N)Cl | 3 |
[C:1]([C:4]1[N:5]=[C:6]2[C:12]3[CH:13]=[C:14]([C:18]#[C:19][C:20]([OH:26])([CH3:25])[C:21]([O:23]C)=O)[C:15]([F:17])=[CH:16][C:11]=3[O:10][CH2:9][CH2:8][N:7]2[CH:27]=1)(=[O:3])[NH2:2].Cl.[NH:29]1[CH2:32][CH:31]([C:33]#[N:34])[CH2:30]1.C(N(CC)CC)C>CO>[C:33]([CH:31]1[CH2:32][N:29]([C:21](=[O:23])[C:20]([OH:26])([CH3:25])[C:19]#[C:18][C:14]2[C:15]([F:17])=[CH:16][C:11]3[O:10][CH2:9][CH2:8][N:7]4[CH:27]=[C:4]([C:1]([NH2:2])=[O:3])[N:5]=[C:6]4[C:12]=3[CH:13]=2)[CH2:30]1)#[N:34] | 1 |
C(#CCCCCCC)C=1C=C2CCN(C2=CC1)C(=O)NCCC(=O)OCC>>C(CCCCCCC)C=1C=C2CCN(C2=CC1)C(=O)NCCC(=O)OCC | 5 |
[NH2:1][C:2]1[N:7]=[C:6]([NH:8][C@H:9]([C:11]2[N:12]([C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)[C:13](=[O:27])[C:14]3[C:19]([CH:20]=2)=[CH:18][CH:17]=[CH:16][C:15]=3[C:21]2[CH:22]=[N:23][N:24]([CH3:26])[CH:25]=2)[CH3:10])[C:5](I)=[CH:4][N:3]=1.[C-:35]#[N:36].[Na+].O>C(#N)C.[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[Cu](I)I>[NH2:1][C:2]1[N:7]=[C:6]([NH:8][C@H:9]([C:11]2[N:12]([C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)[C:13](=[O:27])[C:14]3[C:19]([CH:20]=2)=[CH:18][CH:17]=[CH:16][C:15]=3[C:21]2[CH:22]=[N:23][N:24]([CH3:26])[CH:25]=2)[CH3:10])[C:5]([C:35]#[N:36])=[CH:4][N:3]=1 | 1 |
ClC1=NC(=CC(=N1)C(=O)OCC)COCC(F)(F)F>CC(C)C[AlH]CC(C)C.ClCCl>ClC1=NC(=CC(=N1)C=O)COCC(F)(F)F | 3 |
BrC=1C=C(C=CC1C)C(C(F)(F)F)O>>BrC=1C=C(C=CC1C)C(C(F)(F)F)=O | 5 |
FC1=C(OC2=C3C(=NC=C2)C=C(S3)C=3N(C(=CN3)CN3CCOCC3)C)C=CC(=C1)[N+](=O)[O-]>O.[Fe].CCO[H].[Cl-].[NH4+]>FC=1C=C(N)C=CC1OC1=C2C(=NC=C1)C=C(S2)C=2N(C(=CN2)CN2CCOCC2)C | 3 |
Cl.[CH3:2][O:3][C:4]1[CH:5]=[C:6]([N:10]2[CH2:15][CH2:14][N:13]([CH2:16][C:17]([OH:19])=O)[CH2:12][CH2:11]2)[CH:7]=[CH:8][CH:9]=1.[NH2:20][C@@H:21]([CH2:39][O:40][CH2:41][C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=1)[C:22]([NH:24][C:25]1[CH:30]=[CH:29][C:28]([O:31][C:32]2[CH:37]=[CH:36][C:35]([F:38])=[CH:34][CH:33]=2)=[CH:27][CH:26]=1)=[O:23]>>[CH2:41]([O:40][CH2:39][C@H:21]([NH:20][C:17](=[O:19])[CH2:16][N:13]1[CH2:12][CH2:11][N:10]([C:6]2[CH:7]=[CH:8][CH:9]=[C:4]([O:3][CH3:2])[CH:5]=2)[CH2:15][CH2:14]1)[C:22]([NH:24][C:25]1[CH:30]=[CH:29][C:28]([O:31][C:32]2[CH:37]=[CH:36][C:35]([F:38])=[CH:34][CH:33]=2)=[CH:27][CH:26]=1)=[O:23])[C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=1 | 1 |
Br[C:2]1[C:10]2[C:5](=[CH:6][CH:7]=[C:8]([N+:11]([O-:13])=[O:12])[CH:9]=2)[N:4]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[N:3]=1.[F-:21].[K+].O>CN(C)C=O.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C(P(C(C)(C)C)C1C=CC=CC=1C1C=CC=CC=1)(C)(C)C>[F:21][C:5]1[CH:6]=[C:7]([C:2]2[C:10]3[C:5](=[CH:6][CH:7]=[C:8]([N+:11]([O-:13])=[O:12])[CH:9]=3)[N:4]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[N:3]=2)[CH:8]=[CH:9][CH:10]=1 | 1 |
[CH3:1][O:2][C:3](=[O:12])[CH2:4][C:5]1[CH:10]=[CH:9][C:8]([OH:11])=[CH:7][CH:6]=1.[CH3:13][C:14]([CH3:18])=[CH:15][CH:16]=O.C1(B(O)O)C=CC=CC=1.C(O)(=O)C>C1(C)C=CC=CC=1>[CH3:1][O:2][C:3](=[O:12])[CH2:4][C:5]1[CH:6]=[C:7]2[C:8](=[CH:9][CH:10]=1)[O:11][C:14]([CH3:18])([CH3:13])[CH:15]=[CH:16]2 | 1 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]2=[N:12][N:13]=[C:14]([C:15]3[CH:20]=[CH:19][C:18]([O:21][CH3:22])=[CH:17][CH:16]=3)[N:4]2[N:3]=1.[CH3:23][O:24][C:25]1[CH:30]=[CH:29][C:28]([NH2:31])=[CH:27][CH:26]=1>C(O)C>[CH3:23][O:24][C:25]1[CH:30]=[CH:29][C:28]([NH:31][C:2]2[C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]3=[N:12][N:13]=[C:14]([C:15]4[CH:20]=[CH:19][C:18]([O:21][CH3:22])=[CH:17][CH:16]=4)[N:4]3[N:3]=2)=[CH:27][CH:26]=1 | 1 |
CC1=C(CO)C=CC=C1.ClC=1C=CC(=C(C#N)C1)OC[C@H](COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)F>>ClC=1C=CC(=C(C#N)C1)OC[C@H](CO)F | 5 |
O1C(OCCC1)C1=CC(=C(C=C1)C=1SC2=C(N1)C=CC(=C2)C(=O)O)F>>O1C(OCCC1)C1=CC(=C(C=C1)C=1SC2=C(N1)C=CC(=C2)C(=O)N(C)OC)F | 5 |
COC(=O)C1=CC=C(C=N1)B(O)O.C(C1=CC=CC=C1)OC1=C(C=C(C(=C1)[N+](=O)[O-])Br)OC>O.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C1=CC=CC=C1)OC1=CC(=C(C=C1OC)C=1C=CC(=NC1)C(=O)OC)[N+](=O)[O-] | 3 |
COCCN.CS(=O)(=O)C1=C(C(=C(C(=O)O)C=C1)CSC)F>O>CS(=O)(=O)C1=C(C(=C(C(=O)O)C=C1)CSC)NCCOC | 3 |
[CH:1]([O:4][C:5]1[CH:14]=[C:13]2[C:8]([C:9]([CH3:15])=[CH:10][CH2:11][CH2:12]2)=[CH:7][CH:6]=1)([CH3:3])[CH3:2].ClC1C(=O)C(=O)C(Cl)=C(Cl)C=1Cl>>[CH:1]([O:4][C:5]1[CH:14]=[C:13]2[C:8](=[CH:7][CH:6]=1)[C:9]([CH3:15])=[CH:10][CH:11]=[CH:12]2)([CH3:3])[CH3:2] | 1 |
C(C1=CC=CC=C1)OC(=O)NC(C(=O)O)(CC(F)(F)F)C>>FC(CC(CO)(C)NC(OCC1=CC=CC=C1)=O)(F)F | 5 |
[CH2:1]([O:3][C:4]([C:6]1[N:7]=[C:8]2[CH:13]=[C:12]([NH:14][C:15]([C:17]3[N:29]([CH2:30][C:31]4[CH:36]=[CH:35][CH:34]=[C:33]([F:37])[CH:32]=4)[C:20]4=[N:21][CH:22]=[C:23]([C:25]([F:28])([F:27])[F:26])[CH:24]=[C:19]4[CH:18]=3)=[O:16])[CH:11]=[CH:10][N:9]2[CH:38]=1)=[O:5])[CH3:2].[H-].[H-].[H-].[H-].[Li+].[Al+3]>O1CCCC1>[CH2:1]([O:3][C:4]([C:6]1[N:7]=[C:8]2[CH:13]=[C:12]([NH:14][C:15]([C:17]3[N:29]([CH2:30][C:31]4[CH:36]=[CH:35][CH:34]=[C:33]([F:37])[CH:32]=4)[C:20]4=[N:21][CH:22]=[C:23]([C:25]([F:27])([F:26])[F:28])[CH:24]=[C:19]4[CH:18]=3)=[O:16])[CH:11]=[CH:10][N:9]2[CH:38]=1)=[O:5])[CH3:2].[OH:3][CH2:4][C:6]1[N:7]=[C:8]2[CH:13]=[C:12]([NH:14][C:15]([C:17]3[N:29]([CH2:30][C:31]4[CH:36]=[CH:35][CH:34]=[C:33]([F:37])[CH:32]=4)[C:20]4=[N:21][CH:22]=[C:23]([C:25]([F:26])([F:28])[F:27])[CH:24]=[C:19]4[CH:18]=3)=[O:16])[CH:11]=[CH:10][N:9]2[CH:38]=1 | 1 |
[OH:1][C@H:2]([C:13]1[C:14]([CH3:23])=[C:15]2[C:19](=[CH:20][CH:21]=1)[C:18](=[O:22])[O:17][CH2:16]2)[CH2:3][N:4]1[CH2:9][CH2:8][CH:7]([C:10]([OH:12])=O)[CH2:6][CH2:5]1.[CH3:24][O:25][C:26]1[N:30]=[C:29]([NH2:31])[S:28][N:27]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C(N(CC)CC)C>O.CN(C=O)C>[OH:1][C@H:2]([C:13]1[C:14]([CH3:23])=[C:15]2[C:19](=[CH:20][CH:21]=1)[C:18](=[O:22])[O:17][CH2:16]2)[CH2:3][N:4]1[CH2:9][CH2:8][CH:7]([C:10]([NH:31][C:29]2[S:28][N:27]=[C:26]([O:25][CH3:24])[N:30]=2)=[O:12])[CH2:6][CH2:5]1 | 2 |
O=C1NC(=NC2=CC=CC=C12)CCC(=O)O.Cl.N1C(=NCC1)C=1C=CC(=NC1)N1CCNCC1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.n1nn(O)c2ccccc12.Cl.CN(CCCN=C=NCC)C>N1C(=NCC1)C=1C=CC(=NC1)N1CCN(CC1)C(CCC1=NC2=CC=CC=C2C(N1)=O)=O | 3 |
BrC=1C(=CC=C2C(=C(N(C12)C)C(=O)OC)CCCO)Cl>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC.C(C)(=O)OC(C)=O>C(C)(=O)OCCCC1=C(N(C2=C(C(=CC=C12)Cl)Br)C)C(=O)OC | 3 |
C([O:3][C:4](=[O:41])[CH2:5][N:6]([S:28]([N:31]1[C:40]2[C:35](=[CH:36][CH:37]=[CH:38][CH:39]=2)[CH2:34][CH2:33][CH2:32]1)(=[O:30])=[O:29])[CH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([O:14][CH2:15][C:16]2[N:17]=[C:18]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)[O:19][C:20]=2[CH3:21])[CH:9]=1)C.O.[OH-].[Li+]>>[N:31]1([S:28]([N:6]([CH2:5][C:4]([OH:41])=[O:3])[CH2:7][C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([O:14][CH2:15][C:16]3[N:17]=[C:18]([C:22]4[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=4)[O:19][C:20]=3[CH3:21])[CH:9]=2)(=[O:29])=[O:30])[C:40]2[C:35](=[CH:36][CH:37]=[CH:38][CH:39]=2)[CH2:34][CH2:33][CH2:32]1 | 2 |
C[C@H]1C(OC([C@H](C1)C)=O)=O>[H-].[Al+3].[Li+].[H-].[H-].[H-]>C[C@@H](CO)C[C@@H](CO)C | 3 |
[CH:1]([O:4][C:5](=[O:29])[NH:6][C@@H:7]1[CH2:28][C:10]2[N:11]([CH2:20][C:21]3[C:26](Cl)=[N:25][CH:24]=[CH:23][N:22]=3)[C:12]3[CH:13]=[CH:14][C:15]([C:18]#[N:19])=[CH:16][C:17]=3[C:9]=2[CH2:8]1)([CH3:3])[CH3:2].C[N:31]1C(=O)CCC1>>[CH:1]([O:4][C:5](=[O:29])[NH:6][C@@H:7]1[CH2:28][C:10]2[N:11]([CH2:20][C:21]3[C:26]([NH2:31])=[N:25][CH:24]=[CH:23][N:22]=3)[C:12]3[CH:13]=[CH:14][C:15]([C:18]#[N:19])=[CH:16][C:17]=3[C:9]=2[CH2:8]1)([CH3:3])[CH3:2] | 1 |
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