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
[CH3:1][C:2]1[S:6][C:5]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)=[N:4][C:3]=1[CH2:13][O:14][C:15]1[CH:30]=[CH:29][C:18]([CH2:19][O:20][C:21]2[N:28]=[CH:27][CH:26]=[CH:25][C:22]=2[C:23]#N)=[CH:17][CH:16]=1.C1(C)C=CC=CC=1.[H-].C([Al+]CC(C)C)C(C)C.[Cl-].[NH4+].C(OCC)(=[O:52])C>CCCCCC>[CH3:1][C:2]1[S:6][C:5]([C:7]2[CH:...
1
BrC1=C(C=CC=C1C(F)F)[C@@H](C)NS(=O)C(C)(C)C>CO[H].ClCCl.Cl.[OH-].[Na+]>BrC1=C(C=CC=C1C(F)F)[C@@H](C)N
3
C(C)OC(=O)C1=CC=C(C=C1)N1C(C=C(C=C1)C(=O)O)=O>C1CCCO1.[OH-].[Na+]>C(=O)(O)C1=CC=C(C=C1)N1C(C=C(C=C1)C(=O)O)=O
3
COC1=C(NC)C=CC=C1.C(C)(C)(C)OC(=O)CCCOC1=C(C(=O)O)C=C(C(=C1)Cl)C=1C=NC(=CC1C#N)C(F)(F)F>N(C)(C)C=O.ClCCl.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC=1C(=CC(=C(OCCCC(=O)O)C1)C(N(C)C1=C(C=CC=C1)OC)=O)C=1C=NC(=CC1C#N)C(F)(F)F
3
[C:1]([O:42]N1C(=O)CCC1=O)(=O)[CH2:2][CH2:3][O:4][CH2:5][CH2:6][O:7][CH2:8][CH2:9][O:10][CH2:11][CH2:12][O:13][CH2:14][CH2:15][O:16][CH2:17][CH2:18][O:19][CH2:20][CH2:21][O:22][CH2:23][CH2:24][O:25][CH2:26][CH2:27][O:28][CH2:29][CH2:30][C:31]([O:33]N1C(=O)CCC1=O)=O.[NH2:50][CH2:51][CH2:52][O:53][CH2:54][CH2:55][O:56][C...
1
[CH3:1][O:2][C:3]1[C:11]2[C:6](=[CH:7][C:8]([N+:12]([O-])=O)=[CH:9][CH:10]=2)[N:5]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[N:4]=1>O1CCCC1.[C].[Pd]>[CH3:1][O:2][C:3]1[C:11]2[C:6](=[CH:7][C:8]([NH2:12])=[CH:9][CH:10]=2)[N:5]([C:15]2[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=2)[N:4]=1
1
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][C:3]=1[OH:11].[Br:12][C:13]1[CH:21]=[CH:20][C:16]([C:17](Cl)=O)=[CH:15][CH:14]=1.[OH-].[Na+]>O1CCOCC1>[Br:12][C:13]1[CH:21]=[CH:20][C:16]([C:17]2[O:11][C:3]3[CH:4]=[C:5]([N+:8]([O-:10])=[O:9])[CH:6]=[CH:7][C:2]=3[N:1]=2)=[CH:15][CH:14]=1
2
ClCC(=O)N(C)C.FC=1C=C(C=CC1OC)C=1N=C(C2=C(N1)N(CC21CC1)C=1C=C(C=CC1)O)C>CC#N.C([O-])([O-])=O.[K+].[K+]>FC=1C=C(C=CC1OC)C=1N=C(C2=C(N1)N(CC21CC1)C=1C=C(OCC(=O)N(C)C)C=CC1)C
3
NC1C=CNN=1.O/[CH:8]=[C:9]1\[C:10](=[O:18])[NH:11][C:12]2[C:17]\1=[CH:16][CH:15]=[CH:14][CH:13]=2.[CH2:19]([N:21]1[C:25]([NH2:26])=[CH:24][CH:23]=[N:22]1)[CH3:20]>O1CCCC1>[CH2:19]([N:21]1[C:25]([NH:26][CH:8]=[C:9]2[C:17]3[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=3)[NH:11][C:10]2=[O:18])=[CH:24][CH:23]=[N:22]1)[CH3:20]
1
C1(=C(C=CC=C1)N)N.BrCC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])O)OC>CO[H].C(C)(=O)[O-].[Na+]>OC1=C(C=C(C=C1[N+](=O)[O-])C1=NC2=CC=CC=C2N=C1)OC
3
NC(C(CNC1=C(COC2=CC=C(C=C12)CC)O)O)CC1=CC(=CC(=C1)F)F>ClCCl.C(C)(C)N(C(C)C)CC.C(C)(=O)[O-].[Na+].CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>FC=1C=C(CC(C(CNC2=C(COC3=CC=C(C=C23)CC)O)O)NC(C)=O)C=C(C1)F
3
N(=C=O)CS(=O)(=O)C.[N+](=[N-])=C1N=CN=C1C=CC1=CC=C(C#N)C=C1>CS(=O)C>CS(=O)(=O)CN1N=NC=2N(C1=O)C=NC2/C=C/C2=CC=C(C#N)C=C2
3
Cl[C:2]1[N:7]=[C:6]([NH:8][C:9]2[CH:14]=[CH:13][C:12]([O:15][CH3:16])=[C:11]([Cl:17])[CH:10]=2)[N:5]=[C:4]([NH:18][CH:19]([CH2:23][CH2:24][CH3:25])[CH2:20][CH2:21][CH3:22])[N:3]=1.[CH3:26][N:27]1[CH2:32][CH2:31][CH:30]([NH:33][CH3:34])[CH2:29][CH2:28]1.[OH-].[Na+].Cl>O1CCOCC1.CC(C)=O>[OH-:15].[NH4+:3].[Cl:17][C:11]1[CH...
1
O1C=NC=C1C=1C=C(C=CC1)[N+](=O)[O-]>CCO[H].[HH].C(C)(=O)OCC.[Pd]>O1C=NC=C1C=1C=C(C=CC1)N
3
N(C(OCC)=O)=N[C:3](OCC)=[O:4].[Cl:13][C:14]1[CH:33]=[CH:32][C:17]([NH:18][C:19]2[C:28]3[C:23](=[CH:24][C:25]([OH:31])=[C:26](OC)[CH:27]=3)[N:22]=[CH:21][N:20]=2)=[C:16]([F:34])[CH:15]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[N:54]1[CH:59]=[CH:58][CH:57]=[C:56]([CH2:60][CH2:61]O)[CH:55]=1>C(Cl)Cl>[ClH:13].[Cl:13][C:14]...
1
BrC1=CC=C(C=C1)C(CCCCCl)O>CC(C)(C)[O-].[K+].C1CCCO1>BrC1=CC=C(C=C1)C1OCCCC1
3
C(C)OC(C=C(N)N1CCCC1)=O.C(C)OC(CC(=O)C=CC1=CC=CC2=CC=CC=C12)=O>CCO[H]>C(C)OC(=O)C1=C(N=C(C(C1C1=CC=CC2=CC=CC=C12)C(=O)OCC)C)N1CCCC1
3
C(C(C)C)C1=CC=C(C=C1)C(C=O)C>O.c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.C(Br)(Br)(Br)Br>BrC(=CC(C)C1=CC=C(C=C1)CC(C)C)Br
3
BrCC(=O)N.CC1=C(C(=CC=C1)C)C1=NC(=C(C(=N1)C)COC1=C(C=CC(=C1)C(C)C)C)N1C[C@H](NCC1)C>>CC1=C(C(=CC=C1)C)C1=NC(=C(C(=N1)N1C[C@H](N(CC1)CC(=O)N)C)COC1=C(C=CC(=C1)C(C)C)C)C
5
C(C1=CC=CC=C1)(=O)CC(=O)OCC>O.C(C)(=O)O.N(=O)[O-].[Na+]>C(C)OC(C(C(C1=CC=CC=C1)=O)=NO)=O
3
BrC1=NN2CC(N(CCC2=C1)C(C)C)=O>[Cu]I.C([O-])([O-])=O.[K+].[K+].N.CS(=O)C.N1[C@H](C(=O)O)CCC1.C>NC1=NN2CC(N(CCC2=C1)C(C)C)=O
3
C(C)(C)(C)OC(=O)N1CCN(CC1)CCCCN1C(C2=CC=CC=C2C1=O)=O>ClCCl.C(=O)(C(F)(F)F)O>N1(CCNCC1)CCCCN1C(C2=CC=CC=C2C1=O)=O
3
CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.Cl.Cl.[Cl:27][C:28]1[C:29]([F:54])=[C:30]([NH:34][C:35]2[N:44]=[CH:43][C:42]3[C:37](=[CH:38][C:39]([O:52][CH3:53])=[C:40]([O:45][CH:46]4[CH2:51][CH2:50][NH:49][CH2:48][CH2:47]4)[CH:41]=3)[N:36]=2)[CH:31]=[CH:32][CH:33]=1.C(N(C(C)C)CC)(C)C.[CH3:64][C:65]1[CH:69]=[C:...
1
N1=CC(=CC=C1)NC(=O)N1C2=C(N3CC[C@H]1C3)C=CC(=N2)C(=O)OC>O.C1CCCO1.[OH-].[Li+]>N1=CC(=CC=C1)NC(=O)N1C2=C(N3CC[C@H]1C3)C=CC(=N2)C(=O)O
3
C(C)(C)(C)OC(=O)N1CCC2=CC=CC(=C12)C>Cl>CC=1C=CC=C2CCNC12
3
C(#C)C=1C=NC(=NC1)N.FC1=C(C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N2C[C@H](CCC2)N(C(OC(C)(C)C)=O)C)C=C(C=C1)I>CC#N.[Cu]I.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].CCN(CC)CC>NC1=NC=C(C=N1)C#CC=1C=CC(=C(C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N2C[C@H](CCC2)N(C(OC(C)(C)C)=O)C)C1)F
3
CN(C)C(=[N+](C)C)Cl.F[P-](F)(F)(F)(F)F.CC(CN[C@@H]1CN(C[C@@H](C1)C(=O)N1CCOCC1)C(=O)OC(C)(C)C)C.C(C)(C)(C)C=1NC(C(=C(N1)NCCCOC)C(=O)O)=O>C(C)(C)N(C(C)C)CC.ClCCCl>C(C)(C)(C)C=1NC(C(=C(N1)NCCCOC)C(=O)N([C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)CC(C)C)=O
3
[BH4-].[Na+].[C:3]1([S:9][CH2:10][C:11](=[O:13])[CH3:12])[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1>CO>[C:3]1([S:9][CH2:10][CH:11]([OH:13])[CH3:12])[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1
1
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[N:9]1[CH2:14][CH2:13][C:12](=O)[CH2:11][CH2:10]1.[NH2:16][CH2:17][CH2:18][NH:19][C:20](=[O:26])[O:21][C:22]([CH3:25])([CH3:24])[CH3:23].C(O)(=O)C.C([BH3-])#N.[Na+]>CO>[C:22]([O:21][C:20](=[O:26])[NH:19][CH2:18][CH2:17][NH:16][CH:12]1[CH2:13][CH2:14][N:9]([C:4]2[CH:5]=...
1
Cl.CONC.FC(CCC(=O)Cl)(F)F>>FC(CCC(=O)N(C)OC)(F)F
5
[I:1][C:2]1[C:10]2[C:5](=[CH:6][N:7]=C(C#N)[CH:9]=2)[N:4]([C:13]([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[N:3]=1.[OH-:32].[Li+].Cl.[CH2:35]([OH:37])[CH3:36]>>[I:1][C:2]1[C:10]2[C:5](=[CH:6][N:7]=[C:36]([C:35]([OH:32])=...
1
[Br-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.COCOC1=C(C(=CC=C1C)OCOC)C(C(=O)OCC)=O>C1(=CC=CC=C1)C.C1CCCO1>COCOC1=C(C(=CC=C1C)OCOC)C(C(=O)OCC)=C
3
C(C)(C)(C)[Si](C)(C)Cl.COC(=O)C=1N=COC1C1=CC(=CC=C1)CCO>>COC(=O)C=1N=COC1C1=CC(=CC=C1)CCO[Si](C)(C)C(C)(C)C
5
Br[C:2]1[CH:10]=[CH:9][C:5]([CH2:6][CH2:7][NH2:8])=[CH:4][CH:3]=1.[C:11]1([CH3:20])[CH:16]=[CH:15][CH:14]=[C:13](B(O)O)[CH:12]=1.C(=O)([O-])[O-].[Na+].[Na+]>[Pd](Cl)Cl.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.C(#N)C>[CH3:20][C:11]1[CH:12]=[C:13]([C:2]2[CH:10]=[CH:9][C:5]([CH2:6][CH2...
2
C(C)(C)(C)OC(=O)N[C@@H](C(=O)OC)COS(=O)(=O)C>>C(C)(=O)SC[C@H](C(=O)OC)NC(=O)OC(C)(C)C
5
ClC1=C2CCN(CC2=CC=C1)C(=O)C=1C=C2NC(C=3N(C2=CC1)C(=NN3)C3=CC=C(C=C3)OC)=O>>ClC1=C2CCN(CC2=CC=C1)C(=O)C=1C=C2NC(C=3N(C2=CC1)C(=NN3)C3=CC=C(C=C3)O)=O
5
ClC1=C(COC2=C(C=CC(=C2)OC(C)C)CCCO)C=CC(=C1)Cl>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>ClC1=C(COC2=C(C=CC(=C2)OC(C)C)CCC=O)C=CC(=C1)Cl
3
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.CC1NCCNC1>ClCCl.CCN(CC)CC>C(=O)(OC(C)(C)C)N1CC(NCC1)C
3
NC1=CC=CC=C1>Cl.N(=O)[O-].[Na+].[N-]=[N+]=[N-].[Na+]>C1(CCCCC1)N=N
3
C1(=CC=CC=C1)C1CCC(CC1)=O.NC[C@H](O)C1=CC(=CC=C1)Cl>CO[H].[HH].C(C)(=O)O.[Pt](=O)=O>ClC=1C=C(C=CC1)[C@H](CNC1CCC(CC1)C1=CC=CC=C1)O
3
Cl.Cl.N1CC(C1)N1CCCC1.FC1=C(CN2N=C(C=3C2=NC=CC3)C=3N=C(C2=C(N3)NC(C2(C)C)=O)I)C=CC=C1>C(C)(C)N(C(C)C)CC.CN1C(CCC1)=O>FC1=C(CN2N=C(C=3C2=NC=CC3)C=3N=C(C2=C(N3)NC(C2(C)C)=O)N2CC(C2)N2CCCC2)C=CC=C1
3
N[C@](C(C(C)(OCC(=O)OCC)C)(F)F)(C)C1=C(C=CC(=C1)Br)F>>BrC=1C=CC(=C(C1)[C@]1(NC(COC(C1(F)F)(C)C)=O)C)F
5
[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[CH2:11][O:12][CH2:13][CH2:14][Si:15]([CH3:18])([CH3:17])[CH3:16])=[C:4](Cl)[N:3]=1.[OH:20][C:21]1[CH:22]=[C:23]([NH:27][C:28](=[O:31])[CH:29]=[CH2:30])[CH:24]=[CH:25][CH:26]=1.C([O-])([O-])=O.[K+].[K+]>CN(C=O)C>[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[CH2:11][O...
1
BrC1=CC2=C(N=C(N=C2)SC)NC1=O>CC#N.P(=O)(Cl)(Cl)Cl>BrC1=CC2=C(N=C(N=C2)SC)N=C1Cl
3
ClC1=CC(=C(C=O)C=C1OC)OC>>ClC1=CC(=C(C=C1OC)CO)OC
5
[Si](C)(C)(C(C)(C)C)OCC(CO)(C)C>>[Si](C)(C)(C(C)(C)C)OCC(C=O)(C)C
5
Cl.COC([C@@H]([C@H](C)O)N)=O.FC=1C=C(COC2=CC=C(C=C2)S(=O)(=O)Cl)C=C(C1)F>ClCCl.C(C)(C)N(C(C)C)CC>COC([C@@H]([C@H](C)O)NS(=O)(=O)C1=CC=C(C=C1)OCC1=CC(=CC(=C1)F)F)=O
3
Br[C:2]1[C:11]2[C:6](=[N:7][CH:8]=[C:9]([C:12]([N:14]3[CH2:19][CH2:18][S:17](=[O:21])(=[O:20])[CH2:16][CH2:15]3)=[O:13])[N:10]=2)[CH:5]=[N:4][CH:3]=1.[Cl:22][C:23]1[CH:28]=[CH:27][C:26](B(O)O)=[CH:25][CH:24]=1.C(=O)([O-])[O-].[Cs+].[Cs+].O1CCOCC1>C1(P([C-]2C=CC=C2)C2C=CC=CC=2)C=CC=CC=1.[C-]1(P(C2C=CC=CC=2)C2C=CC=CC=2)C...
2
CSC[C@@H](C)NC1CCC(CC1)NC(OCC1=CC=CC=C1)=O>O.CO[H].S(=O)(=O)(O[O-])[O-].[K+].[K+]>CS(=O)(=O)CC(C)NC1CCC(CC1)NC(OCC1=CC=CC=C1)=O
3
ClC=1C=C(C=CC1F)N=CC1=C(C=NC=C1)O>>ClC=1C=C(C=CC1F)NC1=C(OC2=CN=CC=C21)N
5
C(C)(C)(C)OC(=O)NC=1C=C(C=CC1)N1C(N(C=2C=NC=CC21)C2=CC=C(C(=O)OC)C=C2)=O>CCO[H].Cl.[OH-].[Li+]>C(C)(C)(C)OC(=O)NC=1C=C(C=CC1)N1C(N(C=2C=NC=CC21)C2=CC=C(C(=O)O)C=C2)=O
3
F[C:2](F)(F)C(O)=O.[CH3:8][O:9][C:10]1[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[C:15]2[C:11]=1[CH:12]=[C:13]([C:21]([NH:23][C@@H:24]1[CH2:28][CH2:27][NH:26][CH2:25]1)=[O:22])[NH:14]2.N>>[CH3:8][O:9][C:10]1[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[C:15]2[C:11]=1[CH:12]=[C:13]([C:21]([NH:23][C@@H:24]1[CH2:28][CH2:27][N:26]([CH...
2
[CH2:1]([O:8][C:9]([C:11]1[S:15][C:14]([NH:16]C(C(F)(F)F)=O)=[C:13]([C:23]([OH:25])=[O:24])[C:12]=1[CH3:26])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C([O-])([O-])=O.[Na+].[Na+].Cl>C1COCC1.CCOCC>[CH2:1]([O:8][C:9]([C:11]1[S:15][C:14]([NH2:16])=[C:13]([C:23]([OH:25])=[O:24])[C:12]=1[CH3:26])=[O:10])[C:2]1[CH:7]=[...
1
ClC1=C2C=3C(=NC(=NC3C(=C1C1=CC=C(C=3SC(=C(C31)C#N)NC(OC(C)(C)C)=O)F)F)OC[C@]31CCCN1C[C@@H](C3)F)N([C@H](CO2)\C=C/C)CC(F)F>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>NC1=C(C2=C(S1)C(=CC=C2C=2C(=C1C=3C(=NC(=NC3C2F)OC[C@]23CCCN3C[C@@H](C2)F)N([C@H](CO1)\C=C/C)CC(F)F)Cl)F)C#N
3
N[C@@H](CO)CCC.NC1=NC2=C(C=CC=C2C(=N1)O)F>N(C)(C)C=O.[OH-].[Na+].C(C)(=O)OCC.C1CCC2=NCCCN2CC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>NC1=NC2=C(C=CC=C2C(=N1)N[C@@H](CO)CCC)F
3
[Br:1][C:2]1[CH:3]=[C:4]([CH:9]=[C:10]([CH2:12][N:13]([CH2:15][CH2:16][CH2:17][CH3:18])[CH3:14])[CH:11]=1)[C:5]([O:7]C)=O.C(N(C(C)C)CC)(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[ClH:52].Cl.[NH2:54][C@@H:55]([CH2:71][C:72]1[CH:77]=[C:76]([F:78])[CH:75]=[C:74]([F:79])[CH:73]=1)[C@H:56]([OH:70])[CH2:57][...
1
Cl[CH2:2][CH2:3][NH:4][C:5]([NH:7][C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([C:14]([F:17])([F:16])[F:15])[CH:9]=1)=[O:6].[H-].[Na+]>C1COCC1>[F:15][C:14]([F:17])([F:16])[C:10]1[CH:9]=[C:8]([N:7]2[CH2:2][CH2:3][NH:4][C:5]2=[O:6])[CH:13]=[CH:12][CH:11]=1
1
NC(=CC#N)C(F)(F)F.CC=1OC2=C(C=CC=C2C(C1)=O)C=C(C(=O)OC1CCC1)C(C)=O>CC(C)(C)[O-].[K+].CC(C)O>C(#N)C=1C(C(=C(NC1C(F)(F)F)C)C(=O)OC1CCC1)C=1C=CC=C2C(C=C(OC12)C)=O
3
NCCN1C(NCC1)=O.S1C2=C(C=C1C1=NC(=NC=C1)S(=O)(=O)C)C=CC=C2>CCN(CC)CC.COCCO>S1C2=C(C=C1C1=NC(=NC=C1)NCCN1C(NCC1)=O)C=CC=C2
3
[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([CH:10]2[O:15][C:14]3[CH:16]=[CH:17][CH:18]=[C:19]([C:20]([OH:22])=O)[C:13]=3[O:12][CH2:11]2)[CH:7]=[N:8][CH:9]=1)[CH3:2].C(N1C=CN=C1)([N:25]1C=CN=C1)=O.[OH-].[NH4+].O>CN(C=O)C>[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([CH:10]2[O:15][C:14]3[CH:16]=[CH:17][CH:18]=[C:19]([C:20]([NH2:25])=[O:22])[C:1...
2
FC(COC1=C(C=C(C(=C1)C)Br)C)(CC)F.C1(=CC=CC=C1)[Si](C1=CC=CC=C1)(C1=CC=CC=C1)N>C1(=CC=CC=C1)C.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].[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=CC=CC=C1)C1CCCCC1>FC(COC1=C(C=C(C(=C1)C)N)C)(CC)F
3
C([O:9][CH:10]1[CH2:15][CH2:14][N:13]([CH2:16][CH:17]([N:21]2[CH:25]=[C:24]([C:26]3[C:27]4[CH:34]=[CH:33][N:32]([CH2:35][O:36][CH2:37][CH2:38][Si:39]([CH3:42])([CH3:41])[CH3:40])[C:28]=4[N:29]=[CH:30][N:31]=3)[CH:23]=[N:22]2)[CH2:18][C:19]#[N:20])[CH2:12][CH:11]1[F:43])(=O)C1C=CC=CC=1.[OH-].[Li+]>C(#N)C.O.C(OCC)(=O)C>[...
2
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8]([CH2:18][C:19]3[C:23]([CH3:24])=[N:22][NH:21][N:20]=3)=[C:9]([C:11]3[CH:16]=[CH:15][C:14]([Cl:17])=[CH:13][CH:12]=3)[N:10]=2)[CH:7]=1.[C:25](=O)([O-])[O-].[K+].[K+].CI.C(I)C>CN(C=O)C.C1COCC1.O.C(OCC)(=O)C>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8]([CH2:18][C:19]3[C:23]([CH3:24...
1
O=C1N(CC2N1CCN(C2)C(=O)OC(C)(C)C)C2=CC(=CC=C2)C(F)(F)F>Cl>Cl.FC(C=1C=C(C=CC1)N1C(N2C(CNCC2)C1)=O)(F)F
3
C(C#C)Br.COC=1C=C(C=CC1OC)C1=NNC([C@H]2CCCC[C@@H]12)=O.COC=1C=C(C=CC1OC)C1=NN(C([C@H]2CCCC[C@@H]12)=O)C>CC[O-].[Na+]>COC=1C=C(C=CC1OC)C1=NN(C([C@H]2CCCC[C@@H]12)=O)CC#C
3
FC(F)(F)C(O)=O.[Cl:8][C:9]1[CH:14]=[C:13]2[NH:15][C:16](=[O:38])[C:17]3([CH:21]([C:22]4[CH:27]=[CH:26][CH:25]=[C:24]([Cl:28])[C:23]=4[F:29])[CH:20]([C:30](O)=[O:31])[NH:19][CH:18]3[CH2:33][C:34]([CH3:37])([CH3:36])[CH3:35])[C:12]2=[CH:11][CH:10]=1.C(N(C(C)C)CC)(C)C.C1(P(Cl)(C2C=CC=CC=2)=O)C=CC=CC=1.[NH2:63][C:64]1[CH:6...
1
O[CH2:2][C@H:3]([N:5]1[C:10](=[O:11])[C:9]2=[CH:12][C:13]3[N:14]=[N:15][N:16]([C@H:21]([CH3:28])[CH2:22][N:23]4[N:27]=[N:26][CH:25]=[N:24]4)[C:17](=[O:20])[C:18]=3[CH:19]=[C:8]2[N:7]=[N:6]1)[CH3:4].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[NH:48]1[CH:52]=[N:51][N:50]=[N:49]1.CC(OC(/N=N/C(OC(C)C)=O)=O)C>C1COCC1>[N:48]1[N:...
2
[NH2:1][C:2]1[C:3]([NH:8][C:9]2[CH:18]=[C:17]3[C:12]([CH:13]=[CH:14][CH:15]=[C:16]3[N:19]3[CH2:24][CH2:23][N:22]([CH3:25])[CH2:21][CH2:20]3)=[CH:11][CH:10]=2)=[N:4][CH:5]=[CH:6][CH:7]=1.C(N(CC)CC)C.[C:33](Cl)(=[O:40])[C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1>C1COCC1>[C:33]([NH:1][C:2]1[C:3]([NH:8][C:9]2[CH:18]=[C:...
2
[P:1]([Cl:5])(Cl)([Cl:3])=[O:2].[CH:6]1[C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[CH:9]=[CH:8][C:7]=1[OH:16].C(N(CC)CC)C>C(OCC)C>[P:1]([Cl:5])([Cl:3])(=[O:2])[O:16][C:7]1[CH:8]=[CH:9][C:10]2[C:15](=[CH:14][CH:13]=[CH:12][CH:11]=2)[CH:6]=1
1
[Cl:1][C:2]1[CH:3]=[C:4]([CH:6]=[CH:7][C:8]=1[O:9][C:10]([F:13])([F:12])[F:11])N.N([O-])=O.[Na+].[I-:18].[K+]>OS(O)(=O)=O>[Cl:1][C:2]1[CH:3]=[C:4]([I:18])[CH:6]=[CH:7][C:8]=1[O:9][C:10]([F:13])([F:12])[F:11]
2
Br[C:2]1[CH:14]=[CH:13][C:5]([CH2:6][N:7]([CH3:12])[CH2:8][CH2:9][O:10][CH3:11])=[CH:4][CH:3]=1.[NH2:15][C:16]([NH:18][C:19]1[S:20][C:21](Br)=[CH:22][C:23]=1[C:24]([NH2:26])=[O:25])=[O:17]>>[NH2:15][C:16]([NH:18][C:19]1[S:20][C:21]([C:2]2[CH:14]=[CH:13][C:5]([CH2:6][N:7]([CH3:12])[CH2:8][CH2:9][O:10][CH3:11])=[CH:4][CH...
2
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC(=O)O.N(N)C(=O)[C@H]1N(CCC1)C(=O)OC(C)(C)C>O.C(Cl)(Cl)(Cl)[H].OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC(=O)NNC(=O)[C@H]1N(CCC1)C(=O)OC(C)(C)C
3
[CH:1]([NH:4][S:5]([C:8]1[C:13]([Cl:14])=[CH:12][CH:11]=[C:10]([N+:15]([O-:17])=[O:16])[C:9]=1Cl)(=[O:7])=[O:6])([CH3:3])[CH3:2].[H-].[Na+].[OH2:21]>>[CH:1]([NH:4][S:5]([C:8]1[C:13]([Cl:14])=[CH:12][CH:11]=[C:10]([N+:15]([O-:17])=[O:16])[C:9]=1[OH:21])(=[O:7])=[O:6])([CH3:3])[CH3:2]
1
[Si](C)(C)(C(C)(C)C)OCCO.ClC1=CC2=C(C(=N1)C=1C(=NC=C(C1)Cl)F)N(C(=N2)N2[C@H]1[C@H](OCC2)CCC1)C[C@@H]1CC[C@H](CC1)C>N(C)(C)C=O.[H-].[Na+]>[Si](C)(C)(C(C)(C)C)OCCOC1=NC=C(C=C1C1=NC(=CC2=C1N(C(=N2)N2[C@H]1[C@H](OCC2)CCC1)C[C@@H]1CC[C@H](CC1)C)Cl)Cl
3
CI.OC1C(CCC1)NC(OC(C)(C)C)=O>C1CCCO1.[OH-].[Na+].S(=O)(=O)(O)[O-].C(CCC)[N+](CCCC)(CCCC)CCCC>COC1C(CCC1)NC(OC(C)(C)C)=O
3
O.[CH3:2][C:3]1[C:4]([CH2:15][S:16][C:17]2[NH:21][C:20]3[CH:22]=[CH:23][CH:24]=[CH:25][C:19]=3[N:18]=2)=[N:5][CH:6]=[CH:7][C:8]=1[O:9][CH2:10][C:11]([F:14])([F:13])[F:12].C(N)(N)=[O:27].OO.C(N(CC)CC)C.O.O.O.O.O.S([O-])([O-])(=O)=S.[Na+].[Na+]>CN1CCCC1=O.O.O=[V].F.F.F>[CH3:2][C:3]1[C:4]([CH2:15][S:16]([C:17]2[NH:18][C:1...
1
[CH:1](=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[N+:9]([O-])([O-])=O.[Tl+].N.O=O>[Pd].O1CCOCC1>[C:1]([NH2:9])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
1
BrC1=C(C=C(C=C1)O)C.C(=O)(OC(C)(C)C)NC(C)O>c3c(P(c1ccccc1)c2ccccc2)cccc3.C1=CC=CC=C1.N(=NC(=O)OC(C)C)C(=O)OC(C)C>BrC1=C(C=C(C=C1)OCCNC(OC(C)(C)C)=O)C
3
[OH:1][C:2]1[CH:28]=[CH:27][C:5]([O:6][C:7]2[CH:8]=[C:9]([CH:24]=[CH:25][CH:26]=2)[CH:10]=[C:11]2[CH2:16][CH2:15][N:14]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH2:13][CH2:12]2)=[CH:4][CH:3]=1.C(=O)([O-])[O-].[K+].[K+].I[CH2:36][C:37]([F:40])([F:39])[F:38]>CN(C)C=O>[F:38][C:37]([F:40])([F:39])[CH2:36][...
1
[N:1]1[C:11]2[C@@H:10]3[CH2:12][N:13]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:14][C@H:9]3[CH2:8][NH:7][CH2:6][C:5]=2[CH:4]=[CH:3][CH:2]=1.C(N(CC)CC)C.[Cl:29][C:30]1[CH:31]=[C:32]([S:37](Cl)(=[O:39])=[O:38])[CH:33]=[CH:34][C:35]=1[Cl:36].[OH-].[Na+]>ClCCl>[Cl:29][C:30]1[CH:31]=[C:32]([S:37]([N:7]2[C...
1
[Cl:1][C:2]1[CH:3]=[C:4]([N:8]2[C:12](=O)[CH2:11][CH:10]([C:14]([O:16]C)=[O:15])[CH2:9]2)[CH:5]=[CH:6][CH:7]=1.S(Cl)(Cl)=O>CO>[Cl:1][C:2]1[CH:3]=[C:4]([N:8]2[CH2:12][CH2:11][CH:10]([C:14]([OH:16])=[O:15])[CH2:9]2)[CH:5]=[CH:6][CH:7]=1
1
C1(CC1)C(=O)O.CC1(CC(OCC1)C(=O)NN)S(=O)(=O)C1=CC(=CC=C1)C(F)(F)F>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>C1(CC1)C(=O)NNC(=O)C1OCCC(C1)(S(=O)(=O)C1=CC(=CC=C1)C(F)(F)F)C
3
[Cl-].COC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.COC=1C=C2C=CC=NC2=CC1C=O>CC(C)(C)[O-].[K+].C1CCCO1>COC=1C=C2C=CC=NC2=CC1C=COC
3
FC1=C(C(=O)O)C=CC(=C1)F>CCO[H]>FC1=C(C(=O)OCC)C=CC(=C1)F
3
C1(=CC=CC=C1)SC.C(C1=CC=CC=C1)OC1=CC=C(C=C1)C1=CC2=C(N=CN=C2OC2=CC(=C(C=C2)NC(=O)NC2CC2)Cl)N1>>ClC1=C(C=CC(=C1)OC=1C2=C(N=CN1)NC(=C2)C2=CC=C(C=C2)O)NC(=O)NC2CC2
5
[I-].[CH3:2][S+](C)(C)=O.[CH3:7][O:8][C:9]1[CH:26]=[CH:25][C:24]2[C@@H:23]3[C@H:14]([C@@H:15]4[C@@:19]([CH2:21][CH2:22]3)([CH3:20])[C:18](=[O:27])[CH:17]=[CH:16]4)[C@H:13]([CH3:28])[CH2:12][C:11]=2[CH:10]=1>CS(C)=O>[CH3:7][O:8][C:9]1[CH:26]=[CH:25][C:24]2[C@@H:23]3[C@H:14]([C@@H:15]4[C@@:19]([CH2:21][CH2:22]3)([CH3:20]...
1
CN.ClC1=CC=C(C=C1)[C@@](C(=O)O)(CC)N1C=CC2=C(C=CC=C12)NS(=O)(=O)C>N(C)(C)C=O.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=CC=C(C=C1)[C@@](C(=O)NC)(CC)N1C=CC2=C(C=CC=C12)NS(=O)(=O)C
3
[N:1]1[N:5]2[CH2:6][CH2:7][CH2:8][NH:9][C:4]2=[C:3]([C:10]#[N:11])[CH:2]=1.[C:12]1([C:18](Cl)([C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1>N1C=CC=CC=1>[C:12]1([C:18]([C:19]2[CH:20]=[CH:21][CH:22]=[CH:23][CH:24]=2)([C:25]2[CH:26]=[C...
1
C(C)(C)C1=CC=C(CNC(=O)[C@@H]2NCCN(C2)C(C)=O)C=C1.IC=1C=C(C=CC1OC(F)(F)F)S(=O)(=O)Cl>>C(C)(C)C1=CC=C(CNC(=O)[C@@H]2N(CCN(C2)C(C)=O)S(=O)(=O)C2=CC(=C(C=C2)OC(F)(F)F)I)C=C1
5
S(C#N)CC(=O)C1=CC=C(C=C1)C(F)(F)F>>FC(C1=CC=C(C=C1)C=1NC(SC1)=O)(F)F
5
Cl.C(OC([NH:9][CH2:10][C:11]1[CH:16]=[CH:15][C:14]([NH:17][C:18]([CH:20]2[C:22]([CH3:24])([CH3:23])[C:21]2([CH3:26])[CH3:25])=[O:19])=[CH:13][CH:12]=1)=O)(C)(C)C.C(Cl)Cl>O1CCOCC1>[CH3:25][C:21]1([CH3:26])[C:22]([CH3:23])([CH3:24])[CH:20]1[C:18]([NH:17][C:14]1[CH:13]=[CH:12][C:11]([CH2:10][NH2:9])=[CH:16][CH:15]=1)=[O:1...
1
[CH3:1][NH:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.[Br:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[S:16](Cl)(=[O:18])=[O:17].[OH-].[Na+]>>[CH3:1][NH:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.[Br:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[S:16]([N:2]([CH3:1])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1)(=[O:18]...
1
NC1=CC=C(C(=O)O)C=C1.C[C@@H](C=O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>NC1=CC=C(C(=O)N[C@@H](C)C(=O)O)C=C1
3
BrCC(=O)OCC.CC1=C(C2=C(C(NN=C2)=O)S1)C>CC#N.C([O-])([O-])=O.[K+].[K+]>CC1=C(C2=C(C(N(N=C2)CC(=O)OCC)=O)S1)C
3
[CH3:1][NH2:2].[CH3:3][CH2:4][O:5][C:6]([CH2:8][C:9]([CH2:11][C:12]([O:14][CH2:15][CH3:16])=[O:13])=O)=[O:7].Cl[CH2:18][C:19](=O)[CH3:20]>>[CH3:1][N:2]1[CH:18]=[C:19]([CH3:20])[C:8]([C:6]([O:5][CH2:4][CH3:3])=[O:7])=[C:9]1[CH2:11][C:12]([O:14][CH2:15][CH3:16])=[O:13]
1
[N:1]1([CH2:7][CH2:8][CH2:9][N:10]2[C:18]3[C:13](=[CH:14][C:15]([Cl:19])=[CH:16][CH:17]=3)[C:12]([NH2:20])=[N:11]2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[CH3:21]C(N1CCCCC1)CCBr>>[N:1]1([CH:7]([CH3:21])[CH2:8][CH2:9][N:10]2[C:18]3[C:13](=[CH:14][C:15]([Cl:19])=[CH:16][CH:17]=3)[C:12]([NH2:20])=[N:11]2)[CH2:6][CH2:5][CH2:...
1
[CH2:1]([SH:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8].[CH2:10]([CH:12]1[O:14][CH2:13]1)Cl>[Cl-].C([N+](CCCC)(CCCC)CCCC)CCC.[OH-].[Na+]>[CH2:1]([S:9][CH2:10][CH:12]1[O:14][CH2:13]1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8]
1
OC=1C=C(C=O)C=CC1OC.FC1=CC(=C(N)C=C1)C>>FC1=CC(=C(C=C1)NCC=1C=CC(=C(C1)O)OC)C
5
[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH2:8][C:7](=O)[CH2:6][CH2:5]2.Cl.[NH2:14][OH:15].CC([O-])=O.[Na+]>CCO.O>[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH2:8][C:7](=[N:14][OH:15])[CH2:6][CH2:5]2
1
CNCC(C1=CC=CC=C1)O.ClC=1C=CC=2N(N1)C(=CN2)C2=CC=1C(=NC=CC1O2)OCC>>C(C)OC1=NC=CC2=C1C=C(O2)C2=CN=C1N2N=C(C=C1)N(CC(O)C1=CC=CC=C1)C
5