Datasets:
Derify
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ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
[CH2:1]([C:3]1[C:12]2[O:11][CH:10]([CH3:13])[CH2:9][N:8](C(OC(C)(C)C)=O)[CH2:7][C:6]=2[S:5][CH:4]=1)[CH3:2]>C(OCC)(=O)C.Cl>[CH3:10][O:11][C:12]1[CH:3]=[C:1]([C:3]2[C:12]3[O:11][CH:10]([CH3:13])[CH2:9][NH:8][CH2:7][C:6]=3[S:5][CH:4]=2)[CH:2]=[CH:7][CH:6]=1
1
O1CCCC1.[Cl:6][C:7]1[CH:12]=[CH:11][C:10]([S:13]([N:16]=[C:17]=[O:18])(=[O:15])=[O:14])=[CH:9][CH:8]=1.[NH2:19][C:20]1[CH:28]=[C:27]([Cl:29])[CH:26]=[CH:25][C:21]=1[C:22]([OH:24])=O.C1N=CN(C(N2C=NC=C2)=O)C=1>O>[Cl:29][C:27]1[CH:28]=[C:20]2[C:21]([C:22](=[O:24])[N:16]([S:13]([C:10]3[CH:11]=[CH:12][C:7]([Cl:6])=[CH:8][CH...
1
C(C1=CC=CC=C1)N1C[C@H]([C@@H](C1)[N+](=O)[O-])C1=C(C=C(C(=C1)F)F)F>>C(C1=CC=CC=C1)N1C[C@H]([C@@H](C1)C1=C(C=C(C(=C1)F)F)F)N
5
C(C1=CC=CC=C1)S(=O)(=O)NC(=O)C1CN(C1)C1=NC(=C(C(=O)O)C=C1C#N)C(F)F>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC.CC(C)O.CCN=C=NCCCN(C)C.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C1=CC=CC=C1)S(=O)(=O)NC(=O)C1CN(C1)C1=NC(=C(C(=O)OC(C)C)C=C1C#N)C(F)F
3
C(C(C)(C)C)(=O)Cl.C1(=CC=CC=C1)C#CC=1C=CC(=NC1)N>ClCCl.c1ccncc1>CC(C(=O)NC1=NC=C(C=C1)C#CC1=CC=CC=C1)(C)C
3
BrCCO.N1C[C@@H](CCC1)N1C(=NC2=C1C=CC=C2)[C@H](C)NC2=C1N=CNC1=NC=N2>CCO[H].C(C)(C)N(C(C)C)CC>N1=CN=C2NC=NC2=C1N[C@@H](C)C1=NC2=C(N1[C@H]1CN(CCC1)CCO)C=CC=C2
3
BrC1=C2C=NN(C2=CC(=C1CCCCO)Cl)C1OCCCC1>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.C(Br)(Br)(Br)Br>BrC1=C2C=NN(C2=CC(=C1CCCCBr)Cl)C1OCCCC1
3
[NH2:1][C:2]1[N:7]([CH:8]2[CH2:11][CH2:10][CH2:9]2)[C:6](=[O:12])[NH:5][C:4](=[O:13])[C:3]=1[N:14]=O>CN(C=O)C.O=[Pt]=O>[CH:8]1([N:7]2[C:2]([NH2:1])=[C:3]([NH2:14])[C:4](=[O:13])[NH:5][C:6]2=[O:12])[CH2:9][CH2:10][CH2:11]1
1
CN(CCC=1C(=CC(N(C1)C(C(=O)O)CC(C)C)=O)C(F)(F)F)C.N[C@@H](CC(=O)OCC)C=1C(=C(C=C(C1F)C(F)(F)F)C1=C(C=C(C=C1C)C)C)F>CC#N.CN1C=NC=C1.F[P-](F)(F)(F)(F)F.ClC(=[N+](C)C)N(C)C>FC1=C(C=C(C(=C1[C@H](CC(=O)OCC)NC(C(CC(C)C)N1C(C=C(C(=C1)CCN(C)C)C(F)(F)F)=O)=O)F)C(F)(F)F)C1=C(C=C(C=C1C)C)C
3
C(CCC)[C@@]1(CS(C2=C([C@H](N1)C1=CC=CC=C1)C=C(C(=C2)OC)O)(=O)=O)CC>>FC(S(=O)(=O)OC=1C(=CC2=C([C@H](N[C@](CS2(=O)=O)(CC)CCCC)C2=CC=CC=C2)C1)OC)(F)F
5
BrC=1C=C(C(=O)N(C)C2=C(C=CC=C2)OC)C=CC1Cl>>BrC=1C=C(C(=O)N(C)C2=C(C=CC=C2)O)C=CC1Cl
5
[CH3:1][C:2]1([CH3:24])[C@@H:4]([C:5]([NH:7]/[C:8](/[C:21]([OH:23])=[O:22])=[CH:9]\[CH2:10][CH2:11][CH2:12][CH2:13][S:14][CH2:15][C@H:16]([NH2:20])[C:17]([OH:19])=[O:18])=[O:6])[CH2:3]1.[OH-].[Na+:26]>CO>[CH3:1][C:2]1([CH3:24])[C@@H:4]([C:5]([NH:7]/[C:8](/[C:21]([O-:23])=[O:22])=[CH:9]\[CH2:10][CH2:11][CH2:12][CH2:13][...
2
[S:1]1[C:5](B(O)O)=[CH:4][C:3]2[CH:9]=[CH:10][CH:11]=[CH:12][C:2]1=2.[Cl:13][C:14]1[CH:15]=[C:16]([CH2:20][N:21]2[CH:25]=[CH:24][N:23]=[C:22]2[CH3:26])[N:17]=[N:18][CH:19]=1>>[ClH:13].[S:1]1[C:5]([C:14]2[CH:15]=[C:16]([CH2:20][N:21]3[CH:25]=[CH:24][N:23]=[C:22]3[CH3:26])[N:17]=[N:18][CH:19]=2)=[CH:4][C:3]2[CH:9]=[CH:10...
1
CS(=O)(=O)Cl.O=C1N[C@@H](C2=C(N1C1=CC(=CC=C1)C(F)(F)F)CCC2=O)C2=C(C=C(C#N)C=C2)S(=O)(=O)C>C1CCCO1.[H-].[Na+]>CS(=O)(=O)C=1C=C(C#N)C=CC1C1C2=C(N(C(N1S(=O)(=O)C)=O)C1=CC(=CC=C1)C(F)(F)F)CCC2=O
3
ClC1=C(C=C2C(=N1)N(C(=N2)C)C)C=O>>ClC1=C(C=C2C(=N1)N(C(=N2)C)C)C=NO
5
[C-]#N.[Zn+2].[C-]#N.BrC=1C=C(C(=NC1)N1C[C@H](N(CC1)C1=NC(=NC(=C1)C1=CC=C(C=C1)F)N1[C@H](CCC1)C)C)Cl>N(C)(C)C=O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>FC1=CC=C(C=C1)C1=CC(=NC(=N1)N1[C@H](CCC1)C)N1[C@@H](CN(CC1)C1=NC=C(C#N)C=...
3
C[C@]1(C[C@@H](CCC1)NC1=NC=C(C(=N1)C1=CNC2=C(C=CC=C12)C)C(F)(F)F)NC(OCC1=CC=CC=C1)=O>[HH].C(C)(=O)OCC.[Pd]>C[C@]1(C[C@@H](CCC1)NC1=NC=C(C(=N1)C1=CNC2=C(C=CC=C12)C)C(F)(F)F)N
3
C(=C)C1CCC(CC1)C1CCC(CC1)C=O>C1CCCO1.[Na+].[BH4-].CCO[H]>C(=C)[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)CO
3
[CH2:1]([O:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[CH:12]([CH2:14][CH3:15])[CH3:13])[CH:2]1[O:4][CH2:3]1.[NH3:16]>O>[OH:4][CH:2]([CH2:1][O:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[CH:12]([CH2:14][CH3:15])[CH3:13])[CH2:3][NH2:16]
1
[N:1]([CH2:4][CH2:5][C:6]1[C:7](=[O:13])[NH:8][C:9](=[O:12])[NH:10][CH:11]=1)=[N+]=[N-].C(Cl)(Cl)Cl.CO.N>N1C=CC=CC=1>[NH2:1][CH2:4][CH2:5][C:6]1[C:7](=[O:13])[NH:8][C:9](=[O:12])[NH:10][CH:11]=1
2
C(C)(=O)O[C@H]1[C@@H](C(O[C@H]([C@@H]1OC(C)=O)C1=CC(=C(C=C1)CC)CC1=CC2=C(OCCO2)C=C1)OC)OC(C)=O>O.C1CCCO1.CO[H].[OH-].[Li+]>O1CCOC2=C1C=CC(=C2)CC=2C=C(C=CC2CC)[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)OC
3
C1(CC1)N.C1(CCCC1)N1N=C(C=2C(=NC=CC21)OC)C=2C=C(SC2)C(=O)O>N(C)(C)C=O.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>C1(CCCC1)N1N=C(C=2C(=NC=CC21)OC)C=2C=C(SC2)C(=O)NC2CC2
3
[C:1]([C:5]1[CH:10]=[C:9]([C:11]([CH3:14])([CH3:13])[CH3:12])[CH:8]=[CH:7][C:6]=1[OH:15])([CH3:4])([CH3:3])[CH3:2].[CH3:16][C:17]1([CH3:25])[CH2:22][CH:21]([CH3:23])[CH2:20][C:19](=O)[CH2:18]1.Cl>CCCCCC>[C:1]([C:5]1[CH:10]=[C:9]([C:11]([CH3:14])([CH3:13])[CH3:12])[CH:8]=[C:7]([C:19]2[CH2:18][C:17]([CH3:25])([CH3:16])[C...
1
CI.CC1CC2=C(CN1C(=O)OC(C)(C)C)N=CN2>C1CCCO1.C(O)([O-])=O.[Na+].C[Si](C)(C)[N-][Si](C)(C)C.[K+]>CN1C=NC=2CN(C(CC21)C)C(=O)OC(C)(C)C
3
[OH:1][C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][CH:3]=1.C[N:13]([CH3:18])[CH2:14][CH2:15]CO.C1(P([C:32]2[CH:37]=[CH:36]C=CC=2)C2C=CC=CC=2)C=CC=CC=1.[CH2:38]1COCC1>>[CH2:18]([N:13]([CH2:36][CH2:37][CH2:32][O:1][C:2]1[CH:3]=[CH:4][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:10][CH:11]=1)[CH2:14][CH3:15])[CH3:3...
2
COC1=CC=C(C(=O)NC2=C(C=CC(=C2)C2=CC=NC=C2)NC(OC(C)(C)C)=O)C=C1>>C(C)(C)(C)OC(=O)NC1=C(C=C(C=C1)C1=CC=[N+](C=C1)[O-])NC(C1=CC=C(C=C1)OC)=O
5
FC(COS(=O)(=O)C(F)(F)F)(F)F.Cl.C1(CC1)[C@H](CC(=O)OCC)C1=CC(=NC=C1)OCC1CCN(CC1)C1=CC(=NC=C1C1CCNCC1)OC>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>C1(CC1)[C@H](CC(=O)OCC)C1=CC(=NC=C1)OCC1CCN(CC1)C1=CC(=NC=C1C1CCN(CC1)CC(F)(F)F)OC
3
O=C1N(CCC(N1)=O)C1=NN(C2=CC(=CC=C12)N1CCN(CC1)C(=O)OC(C)(C)C)C>ClCCl.Cl>CN1N=C(C2=CC=C(C=C12)N1CCNCC1)N1C(NC(CC1)=O)=O
3
ClC1=C(C=C(C=C1)[C@@H]1OC([C@H]([C@@H]([C@@H]1OCC1=CC=C(C=C1)OC)OCC1=CC=C(C=C1)OC)OCC1=CC=C(C=C1)OC)COCC1=CC=C(C=C1)OC)CO>>BrCC=1C=C(C=CC1Cl)[C@@H]1OC([C@H]([C@@H]([C@@H]1OCC1=CC=C(C=C1)OC)OCC1=CC=C(C=C1)OC)OCC1=CC=C(C=C1)OC)COCC1=CC=C(C=C1)OC
5
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=[O:29])[CH2:9][CH2:10][C:11]2[C:12]([CH:26]([CH3:28])[CH3:27])=[N:13][N:14]([C:16]3[CH:21]=[CH:20][C:19]([C:22]([F:25])([F:24])[F:23])=[CH:18][CH:17]=3)[CH:15]=2)=[CH:4][C:3]=1[CH3:30].C(=O)([O-])[O-].[K+].[K+].Br[CH2:38][C:39]([O:41][CH2:42][CH3:43])=[O:40].[Cl-].[NH4+]>CC(=O)CC>[...
2
[CH:1]1[C:6]([C@@H:7]([NH2:11])[C:8]([OH:10])=[O:9])=[CH:5][CH:4]=[C:3]([OH:12])[CH:2]=1.S(Cl)([Cl:15])=O.[CH3:17]O>>[CH3:17][O:9][C:8]([C@H:7]([NH2:11])[C:6]1[CH:5]=[CH:4][C:3]([OH:12])=[CH:2][CH:1]=1)=[O:10].[ClH:15]
1
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:16]=[CH:15][CH:14]=[C:13]2[C:9]=1[CH2:10][C:11](=[O:17])[NH:12]2.[N:18]1([CH2:23][CH2:24][NH:25][C:26]([C:28]2[C:32]([CH3:33])=[C:31]([CH:34]=O)[NH:30][C:29]=2[CH3:36])=[O:27])[CH:22]=[CH:21][N:20]=[N:19]1>C(O)C.N1CCCCC1>[N:18]1([CH2:23][CH2:24][NH:25][C:26]([C:28]2...
1
[C:1]([O:5][SiH:6]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])[O:7][C:8]([CH3:11])([CH3:10])[CH3:9])([CH3:4])([CH3:3])[CH3:2].[CH2:17]=[CH:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1.C1C2NC3C(=CC=CC=3)SC=2C=CC=1>C1(C)C(C)=CC=CC=1>[C:8]([O:7][Si:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])([O:12][C:13]([CH3:16])([CH3:15]...
1
COC=1C(=CC=CC1)N.[N+](=O)([O-])C1=CC=CC=2C(C3=CC=C(C=C3C(C12)=O)[N+](=O)[O-])=O>COCCO>COC=1C(=CC=CC1)NC1=CC=CC=2C(C3=CC=C(C=C3C(C12)=O)[N+](=O)[O-])=O
3
C(C)(=O)C=1C(=C(C(=C(C1)Cl)Cl)C1CN(C1)C(=O)OC(C)(C)C)OC>CO[H].[Na+].[BH4-].C(C)(=O)O>ClC1=C(C(=C(C=C1Cl)C(C)O)OC)C1CN(C1)C(=O)OCCCC
3
BrC=1N(C=C(N1)C(F)(F)F)COCC[Si](C)(C)C.NC=1C=C(C=CC1N(C1CCOCC1)CC(C)C)[C@@H](CC(=O)OC)C>C1(=CC=CC=C1)C.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+].C(C1=CC=CC=C1)=CC(=O)C=CC1=CC=CC=C1>C(C(C)C)N(C1=C(C=C(C=C1)[C@@H](CC(=O)OC)C)NC=1N(C=C(N1)C(F)(F)F)CO...
3
FC(OC=1C=C(C=CC1)B(O)O)(F)F.ClC1=CC=C(C=C1)C1=C(C2=C(N(C(N(C2=O)CCC(=O)OC)=O)C)S1)C>C1(=CC=CC=C1)C.C(=O)([O-])[O-].[Cs+].[Cs+]>CN1C(N(C(C2=C1SC(=C2C)C2=CC(=CC=C2)OC(F)(F)F)=O)CCC(=O)OCC)=O
3
C([O:4][CH2:5][C:6]1[CH:7]=[C:8]([CH2:12][O:13][C:14]2[CH:15]=[C:16]3[C:24]4=[C:25]([C:27](=[O:37])[C:28]([CH2:30][C:31]5[CH:32]=[N:33][CH:34]=[CH:35][CH:36]=5)=[CH:29][N:23]4[C:22]4[CH:21]=[CH:20][C:19]([Br:38])=[CH:18][C:17]3=4)[CH:26]=2)[CH:9]=[N:10][CH:11]=1)(=O)C.[OH-].[Na+]>CO.O>[Br:38][C:19]1[CH:20]=[CH:21][C:22...
1
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([NH:11][C:12]2[CH:17]=[C:16]([Br:18])[N:15]=[C:14](Br)[CH:13]=2)(=[O:10])=[O:9])=[CH:4][CH:3]=1.[CH3:20][NH2:21]>>[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([S:8]([NH:11][C:12]2[CH:13]=[C:14]([NH:21][CH3:20])[N:15]=[C:16]([Br:18])[CH:17]=2)(=[O:9])=[O:10])=[CH:6][CH:7]=1
1
[CH:1]1([C:4]2[CH:5]=[CH:6][CH:7]=[C:8]3[C:12]=2[CH2:11][C:10]([CH2:13]C)=[CH:9]3)[CH2:3][CH2:2]1.BrC1C=CC=C2C=1CC(C)=C2.C([Mg]Br)(C)C.P(C(C)(C)C)(C(C)(C)C)C(C)(C)C.[NH4+].[Cl-]>C1COCC1.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]>[CH:1]([C:4]1[CH:5]=[CH:6][CH:7]=[C:8]2[C:12]=1[C...
2
C(C)(C)(C)OC(N[C@H]1[C@H](OC2=C(N(C1=O)CC=O)C=C(C=C2)F)C)=O>C1CCCO1.[Na+].[BH4-]>C(C)(C)(C)OC(N[C@H]1[C@H](OC2=C(N(C1=O)CCO)C=C(C=C2)F)C)=O
3
ClC=1C=C(C(=O)O)C=CC1C.ClC=1C(=C(C=CC1)N1CN(CC1=O)C(CNCCOC)=O)C>CN1C(CCC1)=O.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>ClC=1C=C(C(=O)N(CCOC)CC(=O)N2CN(C(C2)=O)C2=C(C(=CC=C2)Cl)C)C=CC1C
3
C([NH:9][CH2:10][CH2:11][CH2:12][CH2:13][C:14]1[N:15]=[CH:16][NH:17][C:18]=1[CH3:19])(=O)C1C=CC=CC=1.Cl>>[NH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:14]1[N:15]=[CH:16][NH:17][C:18]=1[CH3:19]
1
[C:1]([C:3]1[CH:19]=[CH:18][CH:17]=[CH:16][C:4]=1[O:5][CH2:6][C:7]1[CH:15]=[CH:14][C:10]([C:11](O)=[O:12])=[CH:9][CH:8]=1)#[N:2].O=S(Cl)[Cl:22]>CN(C=O)C>[C:1]([C:3]1[CH:19]=[CH:18][CH:17]=[CH:16][C:4]=1[O:5][CH2:6][C:7]1[CH:15]=[CH:14][C:10]([C:11]([Cl:22])=[O:12])=[CH:9][CH:8]=1)#[N:2]
2
Br[C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][CH:3]=1.[C:11]([O:15][CH2:16][CH2:17][CH2:18][CH3:19])(=[O:14])[CH:12]=[CH2:13]>C([O-])(=O)C.C([N+](CCCC)(CCCC)CCCC)CCC.[Pd].CCOC(C)=O>[CH2:16]([O:15][C:11](=[O:14])[CH:12]=[CH:13][C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][CH:3]=1)[CH2:17][CH2:18][CH3...
2
ClC1=C(C(N(N=C1)CC1=CC=C(C=C1)OC)=O)C(F)(F)F.N[C@H](COCCC(=O)N1CCN(CC1)C1=NC=C(C=N1)C(F)(F)F)C>CC#N.CCN(CC)CC>COC1=CC=C(CN2N=CC(=C(C2=O)C(F)(F)F)N[C@H](COCCC(N2CCN(CC2)C2=NC=C(C=N2)C(F)(F)F)=O)C)C=C1
3
[C:1]([C:3]1[C:4]([N:15]2[CH2:20][CH2:19][CH:18]([C:21](=[O:33])[NH:22][S:23](=[O:32])(=[O:31])[NH:24][C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=3)[CH2:17][CH2:16]2)=[N:5][C:6]([CH3:14])=[C:7]([CH:13]=1)[C:8]([O:10][CH2:11][CH3:12])=[O:9])#[N:2].[H-].[Na+].IC.[CH3:38]C(O)=O>CN(C=O)C>[C:1]([C:3]1[C:4]([N:15]2[CH2:16][...
2
C1(=CC=CC2=CC=CC=C12)CN.C(C)(C)(C)OC(=O)NC1CN(CCC1)C1=NC=C(N1CC#CC)C(=O)O>>C(C#CC)N1C(=NC=C1C(=O)NCC1=CC=CC2=CC=CC=C12)N1CC(CCC1)NC(=O)OC(C)(C)C
5
[N+:1]([C:4]1[CH:5]=[C:6]2[C:10](=[CH:11][CH:12]=1)[NH:9][N:8]=[CH:7]2)([O-:3])=[O:2].[F:13][C:14]([F:29])([F:28])[C:15]1[CH:16]=[C:17]([C:21]2[O:25][N:24]=[C:23]([CH2:26]Cl)[N:22]=2)[CH:18]=[CH:19][CH:20]=1>>[N+:1]([C:4]1[CH:5]=[C:6]2[C:10](=[CH:11][CH:12]=1)[N:9]([CH2:26][C:23]1[N:22]=[C:21]([C:17]3[CH:18]=[CH:19][CH...
1
C(C1=CC=CC=C1)Br.CC1=NNC=C1>>C(C1=CC=CC=C1)N1N=C(C=C1)C
5
S1C(=CC=C1)B(O)O.BrC=1C=C(C=O)C=CC1F>>FC1=C(C=C(C=O)C=C1)C=1SC=CC1
5
[Cl:1][C:2]1[C:7]([F:8])=[CH:6][C:5]([NH:9][CH2:10][C:11](O)=[O:12])=[C:4]([N+:14]([O-])=O)[CH:3]=1.O.O.[Sn](Cl)Cl>C(O)C>[Cl:1][C:2]1[CH:3]=[C:4]2[C:5]([NH:9][CH2:10][C:11](=[O:12])[NH:14]2)=[CH:6][C:7]=1[F:8]
1
[CH:1]([C:3]1[CH:4]=[C:5]([CH:9]=[CH:10][CH:11]=1)[C:6]([OH:8])=[O:7])=[O:2].O=S(Cl)Cl.N1C=C[CH:19]=[CH:18][CH:17]=1.CC(O)C>ClCCl.CN(C=O)C.CCOC(C)=O.O>[CH:1]([C:3]1[CH:4]=[C:5]([CH:9]=[CH:10][CH:11]=1)[C:6]([O:8][CH:18]([CH3:19])[CH3:17])=[O:7])=[O:2]
2
[N+](=O)([O-])C=1C=C2C(=NNC2=CC1)C1=CC(=NC=C1)N1CCN(CC1)CC1CCN(CC1)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>[N+](=O)([O-])C=1C=C2C(=NNC2=CC1)C1=CC(=NC=C1)N1CCN(CC1)CC1CCNCC1
3
COC=1C=C(C=O)C=CC1OC.O1CCN(CC1)C1=CCCC1>Cl>COC=1C=C(C=C2C(CCC2)=O)C=CC1OC
3
BrCC(=O)OC(C)(C)C.ClC=1C2=C(N=C(N1)SC)OC(=N2)C2=CC(=C(C(=C2)C)O)C>>C(C)(C)(C)OC(COC1=C(C=C(C=C1C)C=1OC=2N=C(N=C(C2N1)Cl)SC)C)=O
5
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C:13](=[O:14])[N:12]([CH2:15]O)[C:11](=[O:17])[O:10]2)=[CH:5][CH:4]=1.S(Cl)([Cl:20])=O>C(Cl)(Cl)Cl.C1(C)C=CC=CC=1>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C:13](=[O:14])[N:12]([CH2:15][Cl:20])[C:11](=[O:17])[O:10]2)=[CH:5][CH:4]=1
1
C(C1=CC=CC=C1)#N.[N+](=O)([O-])N1N=CC=C1>CCCCCCC>[N+](=O)([O-])C1=NNC=C1
3
C(N(CC)CC)C.[CH3:8][N:9]=[C:10]=[O:11].[CH2:12]([O:19][C:20]([C:22]1[C@H:23]2[CH2:31][CH:30]=[C:29]([CH3:32])[C@@H:24]2[C@@H:25]([OH:28])[O:26][CH:27]=1)=[O:21])[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1>C(#N)C>[CH2:12]([O:19][C:20]([C:22]1[C@H:23]2[CH2:31][CH:30]=[C:29]([CH3:32])[C@@H:24]2[C@H:25]([O:28][C:10](=[O...
1
C(O[C:6](=O)[N:7]([C@H:9]([C:11](=[O:25])[NH:12][C@H:13]([C@H:21]([OH:24])[CH2:22][Cl:23])[CH2:14][C@H:15]([CH3:20])[CH2:16][CH2:17][CH:18]=[CH2:19])[CH3:10])C)(C)(C)C.Cl.CCOCC>C(Cl)Cl>[ClH:23].[Cl:23][CH2:22][C@H:21]([C@@H:13]([NH:12][C:11](=[O:25])[C@@H:9]([NH:7][CH3:6])[CH3:10])[CH2:14][C@H:15]([CH3:20])[CH2:16][CH2...
2
C(C)(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O.CC(C[C@H](N)B1O[C@@]2([C@H](O1)C[C@H]1C([C@@H]2C1)(C)C)C)C>ClCCl.C(=O)(C(F)(F)F)O.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>CC(C[C@@H](B1O[C@@]2([C@H](O1)C[C@H]1C([C@@H]2C1)(C)C)C)NC([C@@H](NC(=O)C1=NC=CN=C1)CC1=CC=CC=C1)=O)C
3
SC1=C(C(=O)O)C=CC=N1.C12C(CC(CC1)C2)CN>>C12C(CC(CC1)C2)CNC(C2=C(N=CC=C2)S)=O
5
[OH:1][NH:2][C:3](=[O:32])[CH2:4][N:5]1[C:10]2[CH:11]=[C:12]([C:15]([O:17]CC)=[O:16])[CH:13]=[CH:14][C:9]=2[S:8][CH:7]([CH2:20][CH2:21][CH2:22][C:23]2[CH:28]=[CH:27][C:26]([O:29][CH3:30])=[CH:25][CH:24]=2)[C:6]1=[O:31].C1COCC1.[OH-].[Li+].Cl>C(OCC)(=O)C.O>[OH:1][NH:2][C:3](=[O:32])[CH2:4][N:5]1[C:10]2[CH:11]=[C:12]([C:...
1
FC1=C(C=C(C=C1)C=1N=C(N(C1)COCC[Si](C)(C)C)SC)[N+](=O)[O-]>CC#N.O.BrN1C(CCC1=O)=O>BrC1=C(N=C(N1COCC[Si](C)(C)C)SC)C1=CC(=C(C=C1)F)[N+](=O)[O-]
3
C1(CCCC1)C(=O)Cl.O.O.O.O.O.O.N1CCNCC1>CCO[H]>C1(CCCC1)C(=O)N1CCNCC1
3
C(C)C1=NOC(=C1C)NC(OCC(Cl)(Cl)Cl)=O.Cl.Cl.FC1=C(C=CC=C1F)C1=NC=CC(=N1)N1CCNCC1>CCN(CC)CC>FC1=C(C=CC=C1F)C1=NC=CC(=N1)N1CCN(CC1)C(=O)NC1=C(C(=NO1)CC)C
3
[CH:1]1([N:4]([CH3:21])[CH:5]2[CH2:14][CH2:13][C:12]([CH3:16])([CH3:15])[C:11]3[C:10](OC)=[C:9]([C:19]#[CH:20])C=C[C:6]2=3)[CH2:3][CH2:2]1.C([O:29][C:30](=[O:40])[CH:31]=[CH:32]C1C=CC(O)=CC=1)C1C=CC=CC=1.[CH2:41](N(CC)CC)C.[C:48]([O:51][CH2:52][CH3:53])(=O)C.[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59]>[Cu]I.Cl[Pd]...
2
CI.C(=O)C=1C=C(OCC(=O)O)C=CC1>>COC(COC1=CC(=CC=C1)C=O)=O
5
C(C1=CC=CC=C1)(=O)N(C(OC(C)(C)C)=O)C=1O[C@@H](C[C@@](N1)(CF)C=1C(=NC=C(C1)Br)F)C(F)(F)F>>BrC=1C=C(C(=NC1)F)[C@]1(N=C(O[C@@H](C1)C(F)(F)F)NC(OC(C)(C)C)=O)CF
5
[NH2:1][C:2]1[N:3]=[C:4]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[C:5]([C:8]2[CH:9]=[CH:10][C:11](=[O:17])[N:12]([CH:14]([CH3:16])[CH3:15])[N:13]=2)=[N:6][CH:7]=1.[Cl:24]N1C(=O)CCC1=O.O.CCOC(C)=O>CN(C=O)C>[NH2:1][C:2]1[N:3]=[C:4]([C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=2)[C:5]([C:8]2[CH:9]=[CH:10][C:11](=[O...
1
FC1=C(C=CC=C1C(F)(F)F)CC(=O)O.NC1=C2C=CN(C(C2=CC=C1)=O)C=1C=NC=CC1C>>FC1=C(C=CC=C1C(F)(F)F)CC(=O)NC1=C2C=CN(C(C2=CC=C1)=O)C=1C=NC=CC1C
5
[H-].[Al+3].[Li+].[H-].[H-].[H-].[C:7]1([CH2:17][C:18](O)=[O:19])[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=1[CH2:13][C:14](O)=[O:15]>O1CCCC1>[OH:15][CH2:14][CH2:13][C:8]1[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=1[CH2:17][CH2:18][OH:19]
1
Cl.Cl[CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][N:5]=1.[CH3:10][O:11][C:12]1[CH:17]=[CH:16][C:15]([N:18]2[CH2:23][CH2:22][N:21]([C:24]3[C:25]([CH3:38])=[C:26]([CH3:37])[C:27]4[O:31][C:30]([CH3:33])([CH3:32])[CH:29]([OH:34])[C:28]=4[C:35]=3[CH3:36])[CH2:20][CH2:19]2)=[CH:14][CH:13]=1>CCCCCC.C(OCC)(=O)C>[CH3:10][O:11][C:12]...
1
[C:1]([C:5]1[CH:10]=[CH:9][C:8]([S:11]([N:14]([CH2:25][C:26]([OH:28])=O)[C:15]2[CH:16]=[C:17]3[C:22](=[CH:23][CH:24]=2)[N:21]=[CH:20][CH:19]=[CH:18]3)(=[O:13])=[O:12])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[CH:29]1([NH:32][CH2:33][C:34]2[CH:39]=[CH:38][CH:37]=[C:36]([O:40][CH3:41])[CH:35]=2)[CH2:31][CH2:30]1>>[C:1](...
1
[NH2:1][C:2]1([C:5]([OH:7])=[O:6])[CH2:4][CH2:3]1.C(=O)([O-])[O-].[K+].[K+].[CH2:14](Br)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>C(#N)C>[CH2:14]([N:1]([CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[C:2]1([C:5]([O:7][CH2:14][C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)=[O:6])[CH2:4][CH2:3]1)[C:15]1[CH:2...
2
[ClH:1].C(OCC)(=O)C.[CH3:8][N:9](C(OC(C)(C)C)=O)[NH:10][C:11]([C:13]1[CH:14]=[N:15][N:16]([CH3:30])[C:17]=1[CH2:18][O:19][C:20]1[CH:25]=[CH:24][C:23]([C:26]([F:29])([F:28])[F:27])=[CH:22][CH:21]=1)=[O:12]>O1CCOCC1>[ClH:1].[CH3:8][NH:9][NH:10][C:11]([C:13]1[CH:14]=[N:15][N:16]([CH3:30])[C:17]=1[CH2:18][O:19][C:20]1[CH:2...
2
C(OC([N:8]([CH3:51])[C@@H:9]([CH3:50])[C:10]([NH:12][C@H:13]1[C:19]2([CH2:24][CH2:23][O:22][CH2:21][CH2:20]2)[O:18][C:17]2[CH:25]=[CH:26][CH:27]=[CH:28][C:16]=2[N:15]([CH2:29][C:30]2[C:39](OC)=[CH:38][CH:37]=[C:36]3[C:31]=2[CH:32]=[CH:33][C:34]([C:42]([NH:44][S:45]([CH3:48])(=[O:47])=[O:46])=[O:43])=[CH:35]3)[C:14]1=[O...
1
IC=1C=C2C(C(NC2=CC1)=O)=NNC(=O)C1=CC=C(O[C@H](C(=O)OCC2=CC=CC=C2)CC2=CC=CC=C2)C=C1>>IC=1C=C2C(C(NC2=CC1)=O)=NNC(=O)C1=CC=C(O[C@H](C(=O)O)CC2=CC=CC=C2)C=C1
5
[Cl:1][CH2:2][CH:3]([OH:19])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][O:11][C:12]([CH3:18])([CH3:17])[C:13]([O:15][CH3:16])=[O:14].CC(C)=O.OS(O)(=O)=O.O=[Cr](=O)=O.S(=O)(=O)(O)O.O>CC(C)=O.C(O)(C)C>[Cl:1][CH2:2][C:3](=[O:19])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][O:11][C:12]([CH3:17])([CH3:18])[C:13...
1
[CH:1]1[CH:2]=[CH:3][C:4](SC[C@H]2O[C@@H](N3C4=NC=NC(N[C@H]5[C@H](O)CCC5)=C4N=C3)[C@H](O)[C@@H]2O)=[C:5](F)[CH:6]=1.[CH3:33]NC1(C2C=CC=CC=2Cl)C(=O)CCCC1.CC1C=CC=C(C)C=1NC1SCCCN=1.CC(C1C=CC2SC3C=CC=CC=3N(CCCN(C)C)C=2C=1)=O.[CH:87](/[C:92]([OH:94])=[O:93])=[CH:88]/C(O)=O.[CH3:95][CH:96]([NH:98][CH2:99][CH:100]([OH:113])[...
2
COC(\C=C\C1=C(C2=C(S1)C=CC=C2)Cl)=O>C1CCCO1.[Cl-].C1(=CC=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1(=CC=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1(=CC=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Rh+]>COC(CCC1=C(C2=C(S1)C=CC=C2)Cl)=O
3
[CH3:1]C(C)([O-])C.[K+].[Cl:7][C:8]1[C:13]([Cl:14])=[CH:12][C:11]([CH:15]=O)=[CH:10][N:9]=1>[Br-].C[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.C1(C)C=CC=CC=1.O1CCCC1.[Cl-].[Na+].O.C(OCC)(=O)C>[Cl:7][C:8]1[C:13]([Cl:14])=[CH:12][C:11]([CH:15]=[CH2:1])=[CH:10][N:9]=1
1
[CH2:1]([C@H:5]1[O:7][C@@H:6]1[C:8]([OH:10])=O)[CH2:2][CH2:3][CH3:4].CCCCC(F)(F)C(O)CC[C@@H]1[C@@H](CCCCCCC(O)=O)C(=O)C[C@H]1O.C1CCC(NC2CCCCC2)CC1.C(Cl)(=O)C(C)(C)C.C(N(CC)CC)C.Cl.[CH3:66][O:67][C:68](=[O:78])[C@H:69]([CH2:71][C:72]1[CH:77]=[CH:76][CH:75]=[CH:74][CH:73]=1)[NH2:70]>O1CCCC1>[CH3:66][O:67][C:68](=[O:78])[...
1
Br[C:2]1[C:10]2[C:5](=[N:6][CH:7]=[N:8][C:9]=2Cl)N(COCC[Si](C)(C)C)N=1.C1C=C(Cl)C=C(C(OO)=[O:28])C=1.[CH2:31]([O:33][CH2:34][CH3:35])C>>[CH3:31][O:33][C:34]1[CH:35]=[CH:5][N+:6]([O-:28])=[C:7]2[NH:8][CH:9]=[CH:10][C:2]=12
2
ClC=1C=CC(=C(C1)C1=NNC=C1NC(=O)C=1C=NN2C1N=CC=C2)OC(F)F.ClCC1CCC(O1)=O>>ClC=1C=C(C(=NC1)OC(F)F)C1=NN(C=C1NC(=O)C=1C=NN2C1N=CC=C2)CC2OC(CC2)=O
5
BrC(=C)CBr.OC1=C(C=CC(=C1)OCC1=C(N=C(S1)C1=CC=C(C=C1)C)C)/C=C/C(=O)OC>>BrC(COC1=C(C=CC(=C1)OCC1=C(N=C(S1)C1=CC=C(C=C1)C)C)/C=C/C(=O)OC)=C
5
N1(C=NC=C1)CC(=O)O.Cl.ClC1=C(C=CC=2C(=C3N(C12)CCNC3)C=3C=NNC3)Cl>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=CC=2C(=C3N(C12)CCN(C3)C(CN3C=NC=C3)=O)C=3C=NNC3)Cl
3
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:7]=[C:8]([O:10][CH3:11])[CH:9]=1)[NH2:6].[C:12](Cl)(Cl)=[O:13]>C1(C)C=CC=CC=1>[CH3:11][O:10][C:8]1[CH:7]=[C:5]([N:6]=[C:12]=[O:13])[CH:4]=[C:3]([O:2][CH3:1])[CH:9]=1
1
N(C(OC(C)(C)C)=O)[C@H](C(N[C@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CC1C=CC=CC=1)=O)CC(C)C)=O)[C@@H](C)OCC1C=CC=CC=1)=O)C(C)C)=O)CC(C)C)=O)=O)[C@@H](C)OCC1C=CC=CC=1)=O)CCC(=O)N)=O)COCC1C=CC=CC=1.[CH:100]1[CH:101]=[CH:102][C:103]2[N:108]([OH:109])[N:107]=[N:106][C:104]=2[CH:105]=1.[...
1
[NH2:1][CH2:2][CH2:3][O:4][CH2:5][CH2:6][N:7]1[C:19]2[C:18]3[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=3[N:12]=[C:11]([NH2:20])[C:10]=2[N:9]=[C:8]1[CH2:21][O:22][CH2:23][CH3:24].C(N(CC)CC)C.[CH3:32][S:33](Cl)(=[O:35])=[O:34].C(Cl)(Cl)Cl>C(Cl)Cl.O>[NH2:20][C:11]1[C:10]2[N:9]=[C:8]([CH2:21][O:22][CH2:23][CH3:24])[N:7]([CH2:6][...
1
[C:1]1([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[CH:6]=[CH:5][C:4]([CH:7]([NH:12][C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:8][C:9]([NH2:11])=O)=[CH:3][CH:2]=1.C(N(CC)CC)C.FC(F)(F)C(OC(=O)C(F)(F)F)=O.O>C1COCC1>[C:1]1([C:20]2[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=2)[CH:6]=[CH:5][C:4]([CH:7]([NH:12...
2
BrCCC1C(OC(O1)(C)C)=O>C1(=CC=CC=C1)C.CO[H].O.C1(=CC=C(C=C1)S(=O)(=O)O)C>COC(C(CCBr)O)=O
3
C(C)(C)C=1NC(=C(N1)C1=NC(=CC=C1)C)C=1C=C(C=CC1)C1=CC=C(C=C1)C(=O)N1CCSCC1>>C(C)(C)C=1NC(=C(N1)C1=NC(=CC=C1)C)C=1C=C(C=CC1)C1=CC=C(C=C1)C(=O)N1CCS(CC1)=O
5
C(C1=CC=CC=C1)[C@@H]1NC(OC1)=O.C(=O)(OC(C)(C)C)N1CCC(CC1)CC(=O)O>C1(=CC=NC=C1)N(C)C.ClCCl.C1(CCCCC1)N=C=NC1CCCCC1>C(C)(C)(C)OC(=O)N1CCC(CC1)CC(=O)N1C(OC[C@@H]1CC1=CC=CC=C1)=O
3
C[O:2][C:3](=[O:44])[CH2:4][N:5]([CH2:33][CH2:34][CH2:35][CH2:36][N:37]([CH2:41][CH2:42][CH3:43])[CH2:38][CH2:39][CH3:40])[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([CH2:13][N:14]([CH2:22][C:23]2[N:24]([CH2:28][C:29]([O:31]C)=[O:30])[CH:25]=[CH:26][N:27]=2)[CH2:15][C:16]2[N:17]([CH3:21])[CH:18]=[CH:19][N:20]=2)=[CH:9][CH:8]=1....
1
FC(F)(F)C(O)=O.[N-:8]=[N+:9]=[N-:10].[Na+].[C:12]([C:14]([O:16][CH2:17][CH3:18])=[O:15])#[N:13]>N1C(C)=CC=CC=1C>[CH2:17]([O:16][C:14]([C:12]1[NH:13][N:10]=[N:9][N:8]=1)=[O:15])[CH3:18]
1
C(C)(=O)Cl.O1C2=C(OCC1)C=C(C=C2)CC(=O)OC>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>O1C2=C(OCC1)C=C(C=C2)C(C(=O)OC)C(C)=O
3
BrCCN(S(=O)(=O)C1=CC=C(C=C1)C)CCBr.C(C1=CC=CC=C1)OC(C(C)C)C=1N(C=C(N1)I)C12CC(C1)(C2)NC(OC(C)(C)C)=O>CC#N.ClCCl.C(=O)(C(F)(F)F)O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)OC(C(C)C)C=1N(C=C(N1)I)C12CC(C1)(C2)N2CCN(CC2)S(=O)(=O)C2=CC=C(C)C=C2
3
Cl[CH:2]1[C:7](=[O:8])[CH2:6][C:5]([CH2:14][CH2:15][C:16]2[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[C:18]([Cl:24])[CH:17]=2)([CH:9]2[CH2:13][CH2:12][CH2:11][CH2:10]2)[O:4][C:3]1=[O:25].[N:26]1[CH:31]=[CH:30][C:29]([C:32]2[O:36][C:35]([SH:37])=[N:34][N:33]=2)=[CH:28][CH:27]=1>>[Cl:24][C:18]1[CH:17]=[C:16]([CH2:15][CH2:14][...
1
[CH3:1][C:2]1[CH2:3][CH:4]2[CH:9]([CH2:10][C:11]=1[CH3:12])[C:8](=[O:13])[C:7]([O:14][CH3:15])=[CH:6][C:5]2=[O:16].N#N.C([O-])([O-])=O.[K+].[K+].Cl>CO>[CH3:1][C:2]1[CH2:3][C:4]2[C:5]([OH:16])=[CH:6][C:7]([O:14][CH3:15])=[C:8]([OH:13])[C:9]=2[CH2:10][C:11]=1[CH3:12]
1