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
C(C)(=O)[O-].C(C)(=O)[O-].C(C[NH3+])[NH3+].O=C1N(C(SC1)=S)NC1=C(C(=O)O)C=CC=C1.[N+](=O)([O-])C=1C=C(C=CC1)C1=CC=C(O1)C=O>CO[H].S([O-])(O)=O.[Na+]>[N+](=O)([O-])C=1C=C(C=CC1)C1=CC=C(O1)C=C1C(N(C(S1)=S)NC1=C(C(=O)O)C=CC=C1)=O
3
[CH2:1]([C:7]1[N:8]=[C:9]([C:14]2[CH:19]=[CH:18][C:17]([CH3:20])=[CH:16][CH:15]=2)[S:10][C:11]=1[CH2:12][OH:13])[CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[Cr](Cl)([O-])(=O)=[O:22].[NH+]1C=CC=CC=1.C(OCC)C>C(Cl)Cl>[C:12]([O-:13])(=[O:22])[CH3:11].[CH2:1]([C:7]1[N:8]=[C:9]([C:14]2[CH:19]=[CH:18][C:17]([CH3:20])=[CH:16][CH:15]=2...
2
C([NH:8][CH2:9][P:10](=[O:17])([O:14][CH2:15][CH3:16])[O:11][CH2:12][CH3:13])C1C=CC=CC=1.[ClH:18]>C(O)C.[Pd]>[ClH:18].[NH2:8][CH2:9][P:10](=[O:17])([O:14][CH2:15][CH3:16])[O:11][CH2:12][CH3:13]
1
[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[OH:11])[C:5]([OH:7])=[O:6].C(Cl)(Cl)(Cl)Cl.[C:17](Cl)(=[O:26])[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25]>N1C=CC=CC=1>[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[O:11][C:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])=[O:26])[C...
1
OC1CCN(CC1)C.ClC1=CC(=C(NC2=NC=NC3=CC(=C(C=C23)OC)O)C=C1)F>>ClC1=CC(=C(NC2=NC=NC3=CC(=C(C=C23)OC)OC2CCN(CC2)C)C=C1)F
5
BrCC(=O)OC(C)(C)C.C(C1=CC=CC=C1)OC1=CC=C(C=C1)C[C@@H](C)NC>>C(C)(C)(C)OC(CNC[C@@H](CC1=CC=C(C=C1)OCC1=CC=CC=C1)C)=O
5
[C:1]([C:3](=[CH:10][NH:11][C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([C:18]([F:21])([F:20])[F:19])[CH:13]=1)[C:4]([NH:6][C:7](=O)[O-:8])=[O:5])#[N:2].C(N(CC)CC)C>C(#N)C>[O:8]=[C:7]1[NH:6][C:4](=[O:5])[C:3]([C:1]#[N:2])=[CH:10][N:11]1[C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([C:18]([F:21])([F:20])[F:19])[CH:13]=1
1
ClC1=CC=C(C=C1)S(=O)(=O)C(C1=CC=C(C=N1)/C=C/C(=O)OC)C1=C(C=CC(=C1)F)F>>ClC1=CC=C(C=C1)S(=O)(=O)C(C1=CC=C(C=N1)/C=C/C(=O)O)C1=C(C=CC(=C1)F)F
5
[Br-].C[Mg+].C(C)(C)(C)[Si](OC=1C=CC=2C3=C(COC2C1)C=1C=CC(=CC1OC3=O)O[Si](C)(C)C(C)(C)C)(C)C.BrC1=CC=C(OCCN2CCCCCC2)C=C1>>N1(CCCCCC1)CCOC1=CC=C(C=C1)C(C)(O)C1=C(COC2=CC(=CC=C12)O[Si](C)(C)C(C)(C)C)C1=C(C=C(C=C1)O[Si](C)(C)C(C)(C)C)O
5
C(=S)(Cl)Cl.COC(C1=C(C=C(C(=O)OC)C(=C1)F)N)=O>>FC1=C(C=C(C(=C1)C(=O)OC)N=C=S)C(=O)OC
5
NC=1C=NC=CC1.ClC=1C=CC(=C(C1)S(=O)(=O)Cl)OC>C1(=CC=NC=C1)N(C)C.c1ccncc1>ClC=1C=CC(=C(C1)S(=O)(=O)NC=1C=NC=CC1)OC
3
NC1=C(C(=O)O)C=CC(=N1)C.COC=1C=C(OC2=CC=C(CN)C=C2)C=CC1>N(C)(C)C=O.c1ccncc1.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>COC=1C=C(OC2=CC=C(C=C2)CNC(C2=C(N=C(C=C2)C)N)=O)C=CC1
3
[H-].[Na+].[N:3]1[NH:4][CH:5]=[C:6]2[CH2:10][N:9]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[CH2:8][C:7]=12.[CH:18]1([S:21](Cl)(=[O:23])=[O:22])[CH2:20][CH2:19]1.[C:25](#N)[CH3:26]>>[CH:18]1([S:21]([N:4]2[CH:5]=[C:6]3[CH2:10][N:9]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[CH2:8][C:7]3=[N:3]...
1
BrC1=C(C=CC=C1)C1=NC2=C(N1)C=CC=C2>>BrC1=C(C=CC=C1)C1=NC2=C(N1C)C=CC=C2
5
FC(C=1C=C(C=CC1)NC(=O)NC1=CC=C(C=C1)CC1=CN(C2=NC=CC=C21)[Si](C(C)C)(C(C)C)C(C)C)(F)F>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>N1C=C(C=2C1=NC=CC2)CC2=CC=C(C=C2)NC(=O)NC2=CC(=CC=C2)C(F)(F)F
3
ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C1=CC=CC=2CCN(CCC21)CCC(=O)OC(C)(C)C>Cl.O1CCOCC1>Cl.ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C1=CC=CC=2CCN(CCC21)CCC(=O)O
3
FC1=CC=C(COCC(=O)NCCCC2=CC=C(C=C2)O[C@H]2CNCC2)C=C1.BrCCC=1NC2=CC=CC=C2C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>N1C=C(C2=CC=CC=C12)CCN1C[C@@H](CC1)OC1=CC=C(C=C1)CCCNC(COCC1=CC=C(C=C1)F)=O
3
[CH3:1][C:2]1[C:3]([N:24]2[CH2:29][CH2:28][CH2:27][C@H:26]([NH:30]C(=O)OC(C)(C)C)[CH2:25]2)=[N:4][C:5]([N:8]2[C:16]3[CH:15]=[C:14]([C:17]4[CH:22]=[N:21][CH:20]=[C:19]([CH3:23])[N:18]=4)[N:13]=[CH:12][C:11]=3[CH:10]=[N:9]2)=[CH:6][N:7]=1.O1CCOCC1>Cl>[CH3:1][C:2]1[C:3]([N:24]2[CH2:29][CH2:28][CH2:27][C@H:26]([NH2:30])[CH...
1
[F:1][C:2]1[CH:7]=[C:6](B2OC(C)(C)C(C)(C)O2)[CH:5]=[CH:4][C:3]=1[C:17]1[N:18]=[CH:19][C:20]([NH2:23])=[N:21][CH:22]=1.Br[C:25]1[CH:31]=[CH:30][CH:29]=[CH:28][C:26]=1[NH2:27]>>[NH2:27][C:26]1[CH:28]=[CH:29][CH:30]=[CH:31][C:25]=1[C:6]1[CH:5]=[CH:4][C:3]([C:17]2[N:18]=[CH:19][C:20]([NH2:23])=[N:21][CH:22]=2)=[C:2]([F:1])...
1
[H-].[Na+].[CH3:3][CH2:4][O:5][C:6]([CH:8]([C:16]([O:18][CH2:19][CH3:20])=[O:17])[CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)=[O:7].Cl.[CH2:22]([C:26]1[N:27]([CH2:33][C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][C:35]=2[Cl:40])[C:28](CCl)=[CH:29][N:30]=1)[CH2:23][CH2:24][CH3:25]>CN(C)C=O>[CH2:19]([O:18][C:16](=[O:17]...
2
CS(=O)(=O)Cl.BrC=1C(=CC(=C(C1)N)I)Cl>O.ClCCl.CCN(CC)CC>BrC=1C(=CC(=C(C1)NS(=O)(=O)C)I)Cl
3
[CH3:1][O:2][C@@H:3]([CH2:24][OH:25])[CH2:4][O:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23].[Cl:26][CH2:27][CH2:28][N:29]=[C:30]=[O:31]>ClC(Cl)C>[Cl:26][CH2:27][CH2:28][NH:29][C:30]([O:25][CH2:24][C@@H:3]([CH2:4][O:5][CH2:...
1
C1(=CC=CC=C1)CC1(CCNCC1)O.S(=O)(=O)(C)CCC#CC1=CC=CC=C1>>C(C1=CC=CC=C1)C1(CCN(CC1)CCC#CC1=CC=CC=C1)O
5
Br[CH:2]([C:4]1[O:5][C:6](=[O:21])[C:7]2[C:12]([C:13]=1[C:14]1[CH:19]=[CH:18][N:17]=[C:16]([CH3:20])[CH:15]=1)=[CH:11][CH:10]=[CH:9][CH:8]=2)[CH3:3].[NH:22]1[C:26]2=[N:27][CH:28]=[N:29][C:30]([NH2:31])=[C:25]2[CH:24]=[N:23]1.C([O-])([O-])=O.[K+].[K+]>CN(C=O)C>[NH2:31][C:30]1[N:29]=[CH:28][N:27]=[C:26]2[N:22]([CH:2]([C:...
1
BrCC1CC1.BrC=1C=C(C=C(C1OCC(F)(F)F)Cl)CC(=O)OCC>>BrC=1C=C(C=C(C1OCC(F)(F)F)Cl)C(C(=O)OCC)CC1CC1
5
ClS(=O)(=O)O.FC(C(=O)N1CC(CC1)C1=C(C=CC=C1)OC)(F)F>>COC1=C(C=C(C=C1)S(=O)(=O)Cl)C1CN(CC1)C(C(F)(F)F)=O
5
[CH2:1]([O:8][C:9]([NH:11][C:12]1[C:13]([C:23]([O:25]CC)=[O:24])=[N:14][C:15]2[C:20]([CH:21]=1)=[CH:19][CH:18]=[C:17](Br)[CH:16]=2)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:28][N:29]1[CH2:34][CH2:33][NH:32][CH2:31][C:30]1=[O:35].C1(P(C2CCCCC2)C2C=CC=CC=2C2C(OC(C)C)=CC=CC=2OC(C)C)CCCCC1.[O-]P([O-])([O-])=O.[...
1
[CH3:1][N:2]([C:10]1[CH:15]=[CH:14][C:13]([C:16]([F:19])([F:18])[F:17])=[CH:12][C:11]=1[N+:20]([O-])=O)[CH:3]1[CH2:8][CH2:7][N:6]([CH3:9])[CH2:5][CH2:4]1>CO.[Pd]>[CH3:1][N:2]([CH:3]1[CH2:8][CH2:7][N:6]([CH3:9])[CH2:5][CH2:4]1)[C:10]1[C:11]([NH2:20])=[CH:12][C:13]([C:16]([F:19])([F:18])[F:17])=[CH:14][CH:15]=1
1
FC(C[C@@H](C(=O)O)NC(=O)N1CCOCCC1)(C)F.Cl.NC([C@H](O)C1=NC(=NO1)C1CC1)CC>ClCCl.C(C)(C)N(C(C)C)CC.Cl.CN(CCCN=C=NCC)C.O.ON1N=NC2=C1C=CC=C2>C1(CC1)C1=NOC(=N1)C([C@H](CC)NC(=O)[C@H](CC(C)(F)F)NC(=O)N1CCOCCC1)O
3
Cl.CNC(CN)=O.O=CCCC1=NC(=NC(=C1)C1=CC(=CC=C1)C(F)(F)F)C#N>>FC(C(=O)O)(F)F.CNC(=O)CNCCCC1=NC(=NC(=C1)C1=CC(=CC=C1)C(F)(F)F)C#N.CNC(=O)CNCCCC1=NC(=NC(=C1)C1=CC(=CC=C1)C(F)(F)F)C#N
5
CS(=O)(=O)Cl.S1CCOC2=CN=C(C=C12)CO>ClCCl.CCN(CC)CC>S1CCOC2=CN=C(C=C12)COS(=O)(=O)C
3
CC1([C@@H](CCC1)C=1C=C(C(=O)OC)C=CC1O)C>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC.C1=CC=C(C=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F>CC1([C@@H](CCC1)C=1C=C(C(=O)OC)C=CC1OS(=O)(=O)C(F)(F)F)C
3
[C:1]([C:3]1[CH:4]=[N:5][C:6]2[C:11]([CH:12]=1)=[CH:10][C:9]([O:13][CH:14]([S:18][CH3:19])[C:15]([OH:17])=O)=[CH:8][CH:7]=2)#[CH:2].[C:20]([NH2:24])([CH3:23])([CH3:22])[CH3:21].Cl.CN(C)CCCN=C=NCC.C(=O)([O-])O.[Na+]>CN(C)C=O.C(OCC)(=O)C.ON1C2N=CC=CC=2N=N1.C(N(CC)CC)C>[C:20]([NH:24][C:15](=[O:17])[CH:14]([O:13][C:9]1[CH:...
1
ClC1=CC(NN=C1)=O.FC=1C=C(CBr)C=C(C1)C(F)(F)F>N(C)(C)C=O.[Zn].II.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.C1(CCCCC1)P(C1=C(C=CC=C1)C1=C(C=CC=C1OC(C)C)OC(C)C)C1CCCCC1>FC=1C=C(CC2=CC(NN=C2)=O)C=C(C1)C(F)(F)F
3
FC1=C(C=CC(=C1F)[N+](=O)[O-])OC>>FC1=C(C=CC(=C1F)[N+](=O)[O-])O
5
NC(=O)C1=CC=C(C=C1)B(O)O.BrC=1C=C(C=CC1)C1=CC(=C(C(N1CC1=C(C=C(C=C1)C)C)=O)C#N)C(F)(F)F>O.C([O-])([O-])=O.[K+].[K+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(#N)C1=C(C=C(N(C1=O)CC1=C(C=C(C=C1)C)C)C=1C=C(C=CC1)C1=CC=C(C...
3
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([C@@H:8]([C:15]2[N:19]([CH3:20])[CH:18]=[N:17][CH:16]=2)[CH2:9][C:10]([O:12]CC)=[O:11])=[CH:4][CH:3]=1.Br[CH2:22][C:23]1[CH:24]=[C:25]2[C:30](=[CH:31][CH:32]=1)[C:29]([CH3:34])([CH3:33])[CH2:28][CH2:27][C:26]2([CH3:36])[CH3:35].C(=O)([O-])[O-].[Cs+].[Cs+].[Li+].[OH-]>CN(C=O)C.O>[CH3:20][N...
1
N1N=CC=C1.BrC1=C(C=C(C(=C1)Cl)OC)F>O.C([O-])([O-])=O.[K+].[K+].CS(=O)C>BrC1=C(C=C(C(=C1)Cl)OC)N1N=CC=C1
3
N1(CCCC1)CCOCC1CCNCC1.C1(=CC=CC=C1)C1=CSC=2N=C(NC(C21)=O)C(F)(F)F>ClCCl.c1ccncc1.FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>C1(=CC=CC=C1)C1=CSC=2N=C(N=C(C21)N2CCC(CC2)COCCN2CCCC2)C(F)(F)F
3
CN1C=CC=2C1=CC=C1C(NC(=NC21)SCC)=O>CCO[H].Cl>CN1C=CC=2C1=CC=C1C(NC(NC21)=O)=O
3
[C:1]([NH:11][CH:12]([C:18](=[O:20])[CH3:19])[CH2:13][C:14]([O:16]C)=[O:15])(=O)[CH:2]=[CH:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.P(Cl)(Cl)(Cl)=O>C1(C)C=CC=CC=1>[CH3:19][C:18]1[O:20][C:1]([CH:2]=[CH:3][C:4]2[CH:5]=[CH:6][CH:7]=[CH:8][CH:9]=2)=[N:11][C:12]=1[CH2:13][C:14]([OH:16])=[O:15]
1
C(C)(C)(C)NC(=O)C=1C(=NN(C1)COCC[Si](C)(C)C)C=1SC2=C(N1)CCC2>>C(C)(C)(C)NC(=O)C=1C(=NNC1)C=1SC2=C(N1)CCC2
5
C(C1=CC=CC=C1)OC(=O)N1[C@@H]([C@]([C@H](C1)CNCC1=CC=C(C=C1)OC)(C)CCCB(O)O)C(=O)OC>CO[H].[HH].[Pd]>NC[C@@H]1[C@@]([C@H](NC1)C(=O)OC)(C)CCCB(O)O
3
C(C)(C)C=1C(=CC(=C(C=O)C1)C)OC.C(C1=CC=CC=C1)OC=1C=C2CCN(C(C2=CC1OC)CS(=O)(=O)C1=NN=NN1C1=CC=CC=C1)C(=O)OC(C)(C)C>C1CCCO1.Cl.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>C(C1=CC=CC=C1)OC=1C=C2CCNC(C2=CC1OC)\C=C\C1=C(C=C(C(=C1)C(C)C)OC)C
3
FC(F)(F)C(O)=O.[C:8]([N:15]1[CH2:20][CH2:19][CH2:18][CH:17]([CH2:21][N:22]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[C:23](=[O:26])[CH2:24][CH3:25])[CH2:16]1)(OC(C)(C)C)=O.[S:33]1[CH:37]=[CH:36][CH:35]=[C:34]1C=O.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+]>C(Cl)Cl>[S:33]1[CH:37]=[CH:36][CH:35]=[C:34]1[CH2:8][N:15]1[CH2:...
1
Br[C:2]1[CH:31]=[CH:30][C:5]2[C:6]3[N:7]([CH:11]=[C:12]([C:14]4[N:18]([C:19]5[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=5[Cl:25])[N:17]=[C:16]([NH:26][C:27](=[O:29])[OH:28])[N:15]=4)[N:13]=3)[CH2:8][CH2:9][O:10][C:4]=2[CH:3]=1.[Cl:32][C:33]1[CH:38]=[CH:37][C:36](B(O)O)=[CH:35][CH:34]=1.C([O-])([O-])=O.[Cs+].[Cs+]>O1CCOCC1.O....
1
ClC(Cl)(Cl)C([N:5]1[CH2:10][CH2:9][N:8]([C:11]2[CH:16]=[C:15]([S:17]([N:20]3[C:28]4[C:23](=[CH:24][CH:25]=[C:26]([F:29])[CH:27]=4)[CH:22]=[CH:21]3)(=[O:19])=[O:18])[CH:14]=[CH:13][C:12]=2[O:30][CH3:31])[CH2:7][CH2:6]1)=O.[OH-].[K+]>C1COCC1>[F:29][C:26]1[CH:27]=[C:28]2[C:23]([CH:22]=[CH:21][N:20]2[S:17]([C:15]2[CH:14]=[...
2
C(SC1C=C(O)C(=O)NC=1)C1C=CC=CC=1.C[O:18][C:19]1[C:24]([O:25]C)=[CH:23][C:22]([S:27][CH2:28][C:29]2[CH:34]=[CH:33][C:32]([CH3:35])=[CH:31][CH:30]=2)=[CH:21][N:20]=1>>[OH:25][C:24]1[C:19](=[O:18])[NH:20][CH:21]=[C:22]([S:27][CH2:28][C:29]2[CH:34]=[CH:33][C:32]([CH3:35])=[CH:31][CH:30]=2)[CH:23]=1
1
C(C)(C)[SiH](C1=C(C=C(C=C1)OCCCOC1OCCCC1)C)C(C)C>>C(C)(C)[SiH](C1=C(C=C(OCCC(=O)O)C=C1)C)C(C)C
5
COC(CNC(=O)C=1C(C2=CC=CC=C2C1C1=CC=CC=C1)=O)=O>>COC(CNC(=O)C=1N=C(C2=CC=CC=C2C1OC(C)=O)C1=CC=CC=C1)=O
5
C(C=C)(=O)OC.C1(CC1)C1=NOC(=C1)CNC(=O)C=1C(N(C(=C(C1)I)C)C1=CC(=CC=C1)C(F)(F)F)=O>CC#N.CCN(CC)CC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>COC(C=CC1=C(N(C(C(=C1)C(NCC1=CC(=NO1)C1CC1)=O)=O)C1=CC(=CC=C1)C(F)(F)F)C)=O
3
[C:1](NC1(C(O)=O)CC1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CCN(CC)CC.CN(C(ON1[N:39]=[N:38][C:33]2[CH:34]=C[CH:36]=[N:37][C:32]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[C:47]([O:51][C:52](NN)=[O:53])([CH3:50])([CH3:49])[CH3:48].CC1C([O:63]C(C)=O)=CC(C(C)C)=C(OCC[NH+](C)C)C=1.[Cl-]>CN(C=O)C.O>[C:47]([O:51][C:52]([NH...
1
ClC(COC(=O)Cl)(Cl)Cl.C(C1=CC=CC=C1)N1CC(C(C1)C1=CC(=C(C=C1)Cl)Cl)N(CC1=CC=C(C=C1)C(F)(F)F)C>CC#N>ClC=1C=C(C=CC1Cl)C1C(CNC1)N(CC1=CC=C(C=C1)C(F)(F)F)C
3
[Si:1]([O:8][CH2:9][C:10]1([CH3:38])[S:16][CH2:15][CH2:14][N:13]2[C:17]([C:20]3([C:23]4[CH:28]=[CH:27][C:26](B5OC(C)(C)C(C)(C)O5)=[CH:25][CH:24]=4)[CH2:22][CH2:21]3)=[N:18][N:19]=[C:12]2[CH2:11]1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].Br[C:40]1[CH:45]=[CH:44][C:43]([F:46])=[CH:42][N:41]=1.C(=O)([O-])[O-].[K+]...
1
OC1CN(CCCC1)C(=O)OC(C)(C)C>ClCCl.O1CCOCC1.[Cl-].[NH4+]>Cl.N1CC(CCCC1)O
3
[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[C:8]([C:11]1[CH:37]=[CH:36][C:14]([O:15][C:16]([C:18]2[O:22][C:21]([CH2:23][CH2:24][C:25]([NH:27][C@H:28]([C:33]([OH:35])=[O:34])CC(O)=O)=[O:26])=[CH:20][CH:19]=2)=[O:17])=[C:13](OC)[CH:12]=1)(=[NH:10])[NH2:9].F[C:41](F)(F)[C:42]([OH:44])=[O:43]>>[F:1][C:2]([F:7])([F:6])[C:3...
1
CC1=C(C=CC(=C1)OC1=CC=CC=C1)N1C(NC2=C(SC=3N=CC=C1C32)C(=O)N[C@H]3CN(CCC3)C(=O)[C@H]3CNCC3)=O>O.ClCCl.C=O>CC1=C(C=CC(=C1)OC1=CC=CC=C1)N1C(NC2=C(SC=3N=CC=C1C32)C(=O)N[C@H]3CN(CCC3)C(=O)[C@H]3CN(CC3)C)=O
3
ClC=1C=2N(C=CN1)C=CN2.CC=1C(=NC=C(C1)N1CC(CC1)(C1=CC=CC=C1)C)C(=O)NCCN1C(NC2(C1)CCNCC2)=O>Cl.C(C)(C)N(C(C)C)CC.CN(C(C)=O)C>N=1C=CN2C1C(=NC=C2)N2CCC1(CN(C(N1)=O)CCNC(C1=NC=C(C=C1C)N1CC(CC1)(C1=CC=CC=C1)C)=O)CC2
3
C[Si]([N-][Si](C)(C)C)(C)C.[Na+].O1CCCC1.[NH2:16][C:17]1[C:22]2[O:23][CH2:24][O:25][C:21]=2[C:20]([C:26]#[C:27][CH2:28][O:29][CH2:30][C:31]([N:33]([CH3:35])[CH3:34])=[O:32])=[CH:19][C:18]=1[Cl:36].Cl[C:38]1[C:47]2[C:42](=[CH:43][C:44]([O:50][CH3:51])=[C:45]([O:48][CH3:49])[CH:46]=2)[N:41]=[CH:40][N:39]=1>CN(C=O)C.[Cl-]...
1
C(O)(C(F)(F)F)=O.[CH2:8]([O:43][CH:44]1[C@H:48]2[C@H:49](OC3CCCCO3)[N:50](C(OC(C)(C)C)=O)[C:51]3[CH:58]=[CH:57][C:56]([O:59][CH3:60])=[CH:55][C:52]=3[C:53](=[O:54])[N:47]2[CH2:46][CH2:45]1)[CH2:9][CH2:10][O:11][CH:12]1[C@H:16]2[C@H:17](OC3CCCCO3)[N:18](C(OC(C)(C)C)=O)[C:19]3[CH:26]=[CH:25][C:24]([O:27][CH3:28])=[CH:23]...
1
[OH-].[Li+].C[O:4][C:5](=[O:30])[CH2:6][O:7][CH2:8][CH2:9][CH2:10][CH2:11][N:12]1[C:16](=[O:17])[CH2:15][CH2:14][C@@H:13]1/[CH:18]=[CH:19]/[CH:20]([OH:29])[CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[C:24]([Cl:28])[CH:23]=1.Cl>C1COCC1>[Cl:28][C:24]1[CH:23]=[C:22]([CH2:21][CH:20]([OH:29])/[CH:19]=[CH:18]/[C@H:13]2[CH2:14][CH2...
1
[S:1]1[CH2:6][CH2:5][CH2:4][S:3][CH:2]1[CH2:7][CH:8]=[C:9]([F:15])[CH2:10][CH2:11][CH2:12][CH:13]=[O:14].[BH4-].[Na+].CC(C)=O.C(O)(=O)C>CO>[S:1]1[CH2:6][CH2:5][CH2:4][S:3][CH:2]1[CH2:7][CH:8]=[C:9]([F:15])[CH2:10][CH2:11][CH2:12][CH2:13][OH:14]
1
O[CH:2]=[C:3]1[C:11]2[C:6](=[CH:7][C:8]([C:12]([C:14]3[CH:15]=[C:16]([NH:20][C:21]([C:23]4[CH:24]=[N:25][N:26]([CH3:29])[C:27]=4[Cl:28])=[O:22])[CH:17]=[CH:18][CH:19]=3)=[O:13])=[CH:9][CH:10]=2)[NH:5][C:4]1=[O:30].C1COCC1.[N:36]1([CH2:41][CH2:42][C:43]2[CH:48]=[CH:47][C:46]([NH2:49])=[CH:45][CH:44]=2)[CH2:40][CH2:39][C...
1
[CH:1]1([N:7]2[C:11](=[O:12])[CH2:10][CH:9]([C:13](OC)=[O:14])[CH2:8]2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C(O)C.[BH4-].[Na+]>O>[CH:1]1([N:7]2[CH2:8][CH:9]([CH2:13][OH:14])[CH2:10][C:11]2=[O:12])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1
2
[Cl:1][C:2]1[CH:3]=[N:4][N:5]([CH2:7][C:8]2[CH:13]=[CH:12][C:11]([CH2:14]O)=[CH:10][CH:9]=2)[CH:6]=1.P(Br)(Br)[Br:17]>C(Cl)Cl.C(=O)(O)[O-].[Na+]>[Br:17][CH2:14][C:11]1[CH:12]=[CH:13][C:8]([CH2:7][N:5]2[CH:6]=[C:2]([Cl:1])[CH:3]=[N:4]2)=[CH:9][CH:10]=1
1
[C:1]1([C:7]2[O:11][C:10]([C:12]([OH:14])=O)=[CH:9][CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[NH2:15][C:16]1[CH:25]=[CH:24][C:23]([Cl:26])=[CH:22][C:17]=1[C:18]([O:20]C)=[O:19]>>[Cl:26][C:23]1[CH:24]=[CH:25][C:16]([NH:15][C:12]([C:10]2[O:11][C:7]([C:1]3[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=3)=[CH:8][CH:9]=2)=[O:14])=[C:17...
1
Br[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][N:3]=1.[F:8][C:9]1[C:14]([CH:15]=[O:16])=[CH:13][CH:12]=[CH:11][C:10]=1B(O)O.C([O-])([O-])=O.[K+].[K+]>CC#N.O>[F:8][C:9]1[C:10]([C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][N:3]=2)=[CH:11][CH:12]=[CH:13][C:14]=1[CH:15]=[O:16]
1
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.C(C)OC(CN)OCC.BrC=1C(=C(C=CC1)N)C>O.C1CCCO1>BrC=1C(=C(C=CC1)NC(=O)NCC(OCC)OCC)C
3
[NH:1]1[C:5](=[O:6])[CH:4]=[CH:3][C:2]1=[O:7].[CH3:8][C:9]([NH2:13])([CH3:12])[CH2:10][NH2:11]>C(O)C>[CH3:8][C:9]1([CH3:12])[CH2:10][NH:11][CH:3]([CH2:4][C:5]([NH2:1])=[O:6])[C:2](=[O:7])[NH:13]1
2
OCC=1N=C(OC1)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C>CC#N.c3c(P(c1ccccc1)c2ccccc2)cccc3.C(Br)(Br)(Br)Br>BrCC=1N=C(OC1)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
3
N#[C:2][Br:3].C(=O)([O-])[O-].[K+].[K+].CN(C)C[CH2:13][S:14][C:15]1[C:21]2[CH:22]=[CH:23][CH:24]=[CH:25][C:20]=2[O:19][C:18]2[CH:26]=[CH:27][CH:28]=[CH:29][C:17]=2[CH:16]=1>C(Cl)(Cl)Cl.CO>[Br:3][CH2:2][CH2:13][S:14][C:15]1[C:21]2[CH:22]=[CH:23][CH:24]=[CH:25][C:20]=2[O:19][C:18]2[CH:26]=[CH:27][CH:28]=[CH:29][C:17]=2[C...
1
BrC=1C=CC2=C(OCC(N2)=O)C1.CC1OC(CN(C1)C1=C(C=C(N)C=C1)C)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].C(=O)([O-])[O-].[Cs+].[Cs+].CC(C)(C)O.CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C>CC1OC(CN(C1)C1=C(C=C(C=C1)NC=1C=CC2...
3
[F:1][C:2]1[C:3]([NH:22][C:23]2[CH:28]=[CH:27][C:26]([I:29])=[CH:25][C:24]=2[F:30])=[C:4]([C:9]([N:11]2[CH2:14][C:13]([OH:21])([C:15]([NH:17]CC=C)=[O:16])[CH2:12]2)=[O:10])[CH:5]=[CH:6][C:7]=1[F:8].C[N+]1([O-])CC[O:35]CC1.[CH3:39][C:40]([CH3:42])=[O:41].O>[Os](=O)(=O)(=O)=O>[F:1][C:2]1[C:3]([NH:22][C:23]2[CH:28]=[CH:27...
1
[CH3:1][O:2][C:3]([N:5]1[CH2:10][CH2:9][CH:8]([CH2:11][OH:12])[CH2:7][CH2:6]1)=[O:4].C(=O)(O)[O-].[Na+].[Br-].[Na+].Cl[O-].[Na+]>ClCCl.O>[CH3:1][O:2][C:3]([N:5]1[CH2:6][CH2:7][CH:8]([CH:11]=[O:12])[CH2:9][CH2:10]1)=[O:4]
1
FC(OC=1C=CC=C2C=C(C(OC12)=O)C(=O)O)(F)F.O(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC(=CC=C1)N>>O(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC(=CC=C1)NC(=O)C=1C(OC2=C(C=CC=C2C1)OC(F)(F)F)=O
5
[Cl:1][C:2]1[C:7]([Cl:8])=[CH:6][CH:5]=[CH:4][C:3]=1[N:9]=[C:10]=[O:11].Cl.[C:13]1([C@H:19]2[CH2:21][C@@H:20]2[N:22]2[C:30](=[O:31])[C@@H:25]3[CH2:26][NH:27][CH2:28][CH2:29][N:24]3[C:23]2=[O:32])[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.CCN(C(C)C)C(C)C>C(Cl)Cl>[Cl:1][C:2]1[C:7]([Cl:8])=[CH:6][CH:5]=[CH:4][C:3]=1[NH:9][C:...
1
C(C1=CC=CC=C1)OCC1=NN(C(N1CC)=O)C=1C=C2C(=NN(C(C2=CC1F)=O)C1=C(C=CC=C1F)Cl)C(=C)C>C(=O)(C(F)(F)F)O>ClC1=C(C(=CC=C1)F)N1C(C2=CC(=C(C=C2C(=N1)C(=C)C)N1N=C(N(C1=O)CC)CO)OC)=O
3
C(C)(C)OP(OC(C)C)=O>C=O.CCN(CC)CC>OCP(OC(C)C)(OC(C)C)=O
3
C(C)(C)OC1=C(C=CC=C1)N1CCN(CCC1)C(=O)OC(C)(C)C>>Cl.C(C)(C)OC1=C(C=CC=C1)N1CCNCCC1
5
ClC1=CC=C(C=C1)C1=C(CCC(C1)(C)C)CN1CCN(CC1)C1=CC(=C(C(=O)NS(=O)(=O)C2=CC(=C(C=C2)NCC2(CCN(CC2)C)F)[N+](=O)[O-])C=C1)N1N=CC2=NC3=C(C=C21)C=CN3COCC[Si](C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>ClC1=CC=C(C=C1)C1=C(CCC(C1)(C)C)CN1CCN(CC1)C1=CC(=C(C(=O)NS(=O)(=O)C2=CC(=C(C=C2)NCC2(CCN(CC2)C)F)[N+](=O)[O-])C=C1)N1N=CC2=NC3=C(C=C21)C=CN...
3
BrCC1=CC=C(C(=O)OC)C=C1.ClC=1C=C(C=CC1)NC(=O)N1CCN(CC1)C(=O)OC(C)(C)C>C1CCCO1.[H-].[Na+]>ClC=1C=C(C=CC1)N(C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)CC1=CC=C(C=C1)C(=O)OC
3
FC1=CC=C2C(=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1)C1=CC2=C(N=C(O2)N)C=C1>>FC1=CC=C2C(=CNC2=C1)C1=CC2=C(N=C(O2)N)C=C1
5
C[O:2][C:3]([C:5]1[C:13]2[C:8](=[C:9]([F:14])[CH:10]=[CH:11][CH:12]=2)[N:7]([CH2:15][CH2:16][O:17][C:18]([F:21])([F:20])[F:19])[CH:6]=1)=[O:4]>[OH-].[Na+].CO.C1COCC1>[F:14][C:9]1[CH:10]=[CH:11][CH:12]=[C:13]2[C:8]=1[N:7]([CH2:15][CH2:16][O:17][C:18]([F:20])([F:21])[F:19])[CH:6]=[C:5]2[C:3]([OH:4])=[O:2]
2
[CH3:1][C:2]1([CH3:9])[CH2:7][CH:6]([NH2:8])[CH2:5][CH2:4][O:3]1.[Cl:10][CH2:11][CH2:12][N:13]=[C:14]=[O:15]>C1COCC1>[Cl:10][CH2:11][CH2:12][NH:13][C:14]([NH:8][CH:6]1[CH2:5][CH2:4][O:3][C:2]([CH3:9])([CH3:1])[CH2:7]1)=[O:15]
1
C(C)(=O)N1CCN(CC1)C1=NC(=CC=C1)F>>FC1=CC=CC(=N1)N1CCNCC1
5
C1(CC1)C[C@@H](\C=C\C(=O)N1CCC2=CC=CC=C12)NC(=O)[C@H]1N(CC1)C(=O)OC(C)(C)C>>FC(C(=O)O)(F)F.C1(CC1)C[C@@H](\C=C\C(=O)N1CCC2=CC=CC=C12)NC(=O)[C@H]1NCC1
5
OCCNC(OC(C)(C)C)=O.CS(=O)CC1=C(C=CC(=C1)[N+](=O)[O-])O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>CS(=O)CC1=C(OCCNC(OC(C)(C)C)=O)C=CC(=C1)[N+](=O)[O-]
3
C(C)(C)(C)OC(=O)N1CC(CC1)CNC1=NC(=NC=C1C(=O)O)Cl>N(C)(C)C=O.N.O.ON1N=NC2=C1C=CC=C2.CCN=C=NCCCN(C)C>N1(N=NC2=C1C=CC=C2)OC2=NC=C(C(=N2)NCC2CN(CC2)C(=O)OC(C)(C)C)C(N)=O
3
[Al].ClC1C=C(C=CC=1)C(OO)=O.[CH:13]1[CH:18]=[C:17]([Cl:19])[CH:16]=[C:15]([C:20]([Cl:22])=[O:21])[CH:14]=1.C1CCCCC1>>[CH:13]1[CH:18]=[C:17]([Cl:19])[CH:16]=[C:15]([C:20]([Cl:22])=[O:21])[CH:14]=1
1
C(#C)[Si](C)(C)C.FC(S(=O)(=O)OC1=CC=C2C=CC(=CC2=C1)OS(=O)(=O)C(F)(F)F)(F)F>>C[Si](C)(C)C#CC1=CC2=CC(=CC=C2C=C1)C#C[Si](C)(C)C
5
[F:1][C:2]1([F:33])[O:6][C:5]2[CH:7]=[CH:8][C:9]([C:11]3([C:14]([NH:16][C@@H:17]4[CH2:22][CH2:21][O:20][C@@H:19]([C:23]5[CH:24]=[C:25]([CH:30]=[CH:31][CH:32]=5)[C:26](OC)=[O:27])[CH2:18]4)=[O:15])[CH2:13][CH2:12]3)=[CH:10][C:4]=2[O:3]1.[BH4-].[Na+]>O1CCCC1.CO>[F:33][C:2]1([F:1])[O:6][C:5]2[CH:7]=[CH:8][C:9]([C:11]3([C:...
2
C([O:8][C:9]1[CH:14]=[C:13]([F:15])[CH:12]=[CH:11][C:10]=1[NH:16][C:17]1[C:26]2[C:21](=[CH:22][C:23]([N:28]=[S:29]([CH3:32])([CH3:31])=[O:30])=[CH:24][C:25]=2[CH3:27])[N:20]=[CH:19][N:18]=1)C1C=CC=CC=1.CO.C1COCC1.CN(C=O)C>[Pd].C(O)C>[CH3:32][S:29](=[N:28][C:23]1[CH:22]=[C:21]2[C:26]([C:17]([NH:16][C:10]3[CH:11]=[CH:12]...
1
C(C)OC(C(=O)OCC)=N.Cl.NCC(CC1=CC=CC=C1)=O>C(C)(=O)O.C(C)(=O)[O-].[Na+]>C(C1=CC=CC=C1)C=1N=C(NC1)C(=O)OCC
3
[Cl:1][C:2]1[N:7]=[C:6]([C:8]([O:10][CH3:11])=[O:9])[CH:5]=[C:4](Cl)[N:3]=1.[NH:13]1[CH2:17][CH2:16][CH2:15][C@H:14]1[C:18]([NH2:20])=[O:19].CCN(C(C)C)C(C)C>C(#N)C>[C:18]([C@@H:14]1[CH2:15][CH2:16][CH2:17][N:13]1[C:4]1[N:3]=[C:2]([Cl:1])[N:7]=[C:6]([C:8]([O:10][CH3:11])=[O:9])[CH:5]=1)(=[O:19])[NH2:20]
1
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[CH2:7][NH:8][C:9](=[O:31])[C:10]1[CH:15]=[CH:14][C:13]([O: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][CH3:30])=[CH:12][CH:11]=1.[C:32](Cl)(=[O:41])[C:33]1[C:34]([O:39][CH3:40])=[CH:35][CH:36]=[CH:37][CH:38]=1.O>O1CCC...
1
[F:1][C:2]([F:13])([F:12])[C:3]1[CH:11]=[CH:10][C:6]([C:7]([OH:9])=[O:8])=[CH:5][CH:4]=1.[CH3:14][C:15]([CH3:19])([CH3:18])[CH2:16]O.S(=O)(=O)(O)O.C(=O)([O-])[O-].[Na+].[Na+]>C1(C)C=CC=CC=1>[F:1][C:2]([F:12])([F:13])[C:3]1[CH:11]=[CH:10][C:6]([C:7]([O:9][CH2:14][C:15]([CH3:19])([CH3:18])[CH3:16])=[O:8])=[CH:5][CH:4]=1
1
C1(=CC=C(C=C1)S(=O)(=O)OCC1CCC2(OCCO2)CC1)C>>C(C)(=S)OCC1CCC2(OCCO2)CC1
5
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.CC=1C=C(C=NC1)N.CC1=NC=CC(=C1)C=1C=CC2=C(N[C@H]3CCN2C3)N1>O.C1CCCO1.CCN(CC)CC>CC=1C=C(C=NC1)NC(=O)N1C2=C(N3CC[C@H]1C3)C=CC(=N2)C2=CC(=NC=C2)C
3
[CH3:1][O:2][C:3]1[C:10]([CH3:11])=[C:9]([CH3:12])[C:8]([O:13][CH3:14])=[CH:7][C:4]=1[CH:5]=O.C([O-])(=O)C.[NH4+].[N+:20]([CH2:23][CH3:24])([O-:22])=[O:21]>C(OC(C)C)(C)C>[CH3:14][O:13][C:8]1[CH:7]=[C:4]([CH:5]=[C:23]([N+:20]([O-:22])=[O:21])[CH3:24])[C:3]([O:2][CH3:1])=[C:10]([CH3:11])[C:9]=1[CH3:12]
1
Br[CH:2]([CH2:10][C:11]1[CH:16]=[CH:15][C:14]([O:17][C:18]2[C:23]([O:24][CH3:25])=[C:22]([CH3:26])[C:21]([CH3:27])=[C:20]([O:28][CH3:29])[C:19]=2[CH3:30])=[CH:13][CH:12]=1)[C:3](OCCCC)=[O:4].[NH2:31][C:32](N)=[S:33].S1(CCCC1)(=O)=[O:36].Cl>O.COCCO>[CH3:30][C:19]1[C:20]([O:28][CH3:29])=[C:21]([CH3:27])[C:22]([CH3:26])=[...
1