Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
FC1=C(C=CC(=C1)F)S(=O)(=O)NC=1C(=NC=C(C1)C=1C=CC=2N(C1)C=CN2)OC>N(C)(C)C=O.IN1C(CCC1=O)=O>FC1=C(C=CC(=C1)F)S(=O)(=O)NC=1C(=NC=C(C1)C=1C=CC=2N(C1)C(=CN2)I)OC
3
COC(C1=C(C=C(C(=C1)Cl)OC)OCCCN1CC(C(CC1)(O)C1=CC=C(C=C1)Cl)(C)C)=O>O.C1CCCO1.[OH-].[Li+]>ClC=1C(=CC(=C(C(=O)O)C1)OCCCN1CC(C(CC1)(O)C1=CC=C(C=C1)Cl)(C)C)OC
3
[C:1]([N:5]([CH3:17])[S:6]([C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[C:15]#[N:16])(=[O:8])=[O:7])([CH3:4])([CH3:3])[CH3:2].[ClH:18]>CO.[Pd]>[ClH:18].[NH2:16][CH2:15][C:10]1[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=1[S:6]([N:5]([C:1]([CH3:4])([CH3:3])[CH3:2])[CH3:17])(=[O:8])=[O:7]
2
[N+:1]([O-:4])(O)=[O:2].[O:5]1[C:13]2[C:8](=[N:9][CH:10]=[CH:11][CH:12]=2)[NH:7][C:6]1=[O:14]>S(=O)(=O)(O)O>[N+:1]([C:11]1[CH:12]=[C:13]2[O:5][C:6](=[O:14])[NH:7][C:8]2=[N:9][CH:10]=1)([O-:4])=[O:2]
2
NC=1C=C2COC(=O)C2=CC1.FC=1C=CC(=C(C1)C(CC(C(=O)O)(C(F)(F)F)O)(C)C)[N+](=O)[O-]>>FC=1C=CC(=C(C1)C(CC(C(=O)NC=1C=C2COC(=O)C2=CC1)(C(F)(F)F)O)(C)C)[N+](=O)[O-]
5
[H-].[Na+].[NH:3]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH2:5][CH2:4]1.[CH3:12]I>O1CCCC1.C(O)C>[CH3:12][N:3]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH2:5][CH2:4]1
2
Cl.C(C)OC([C@@H](N)C)=O.ClC1=NC=CC=C1C#N>>C(#N)C=1C(=NC=CC1)N[C@H](C(=O)OCC)C
5
BrC=1C=C(C(=C2C=NNC12)CO)C[C@H](C(=O)OC)CC(=O)OC>ClCCl.ClS(Cl)=O>BrC=1C=C(C(=C2C=NNC12)CCl)C[C@H](C(=O)OC)CC(=O)OC
3
ClC[C@@H](C)O.C1(CC1)NC(=O)NC1=CC(=C(C=C1)OC1=C2C(=NC=C1)C=C(S2)C2=NC=C(C=C2)CN2CCNCC2)F>CS(=O)C.C(C)(C)N(C(C)C)CC>C1(CC1)NC(=O)NC1=CC(=C(C=C1)OC1=C2C(=NC=C1)C=C(S2)C2=NC=C(C=C2)CN2CCN(CC2)C[C@@H](C)O)F
3
C(C)(C)(C)OC(=O)N1CCN(CC1)C1=CC(=C(C=C1)\C=C\C1=NNC2=CC=CC=C12)[N+](=O)[O-]>>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=CC(=C(C=C1)\C=C\C1=NNC2=CC=CC=C12)N
5
NC1=C(C=CC(=N1)C(=O)OC)CCC(=O)OCC>C(C)(=O)O>O=C1CCC2=CC=C(NC2=N1)C(=O)OC
3
ClC=1C=C(OCC[Si](C)(C)C)C=CC1C(F)(F)F>>ClC=1C=C(C=CC1C(F)(F)F)O
5
C(#N)C1(N(C(CCC1)C)CC1=CC=CC=C1)C1(CN(C1)C(=O)OC(C)(C)C)O>>OC1(CN(C1)C(=O)OC(C)(C)C)C1N(C(CCC1)C)CC1=CC=CC=C1
5
CS(=O)(=O)C=1C=CC(=NC1)OC=1C=C2C=C(NC2=C(C1)OC1CCOCC1)C(=O)OCC>C1CCCO1.CCO[H].[OH-].[Na+]>CS(=O)(=O)C=1C=CC(=NC1)OC=1C=C2C=C(NC2=C(C1)OC1CCOCC1)C(=O)O
3
Cl.[CH:2]12[CH2:11][CH:6]3[CH2:7][CH:8]([CH2:10][CH:4]([CH2:5]3)[C:3]1=O)[CH2:9]2.[CH:13]([NH2:16])([CH3:15])[CH3:14].C([BH3-])#N.C([N+](CCCC)(CCCC)CCCC)CCC>ClCCl>[CH:2]12[CH2:11][CH:6]3[CH2:7][CH:8]([CH2:10][CH:4]([CH2:5]3)[CH:3]1[NH:16][CH:13]([CH3:15])[CH3:14])[CH2:9]2
1
[Br:1]C1N2N=CN=C2C(NC2C=[CH:16][C:15]([N:18]3[CH2:23][C@H:22]4[CH2:24][C@@H:19]3[CH2:20][N:21]4C(C)C)=[CH:14]C=2)=NC=1.CC1OCCC1.NC(C1OC=C(B(O)O)C=1)=O>C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].O>[BrH:1].[BrH:1].[CH:15]([N:18]1[CH2:23][C@H:22]2[CH2:24][C@@H:19]1[CH2:...
2
[CH2:1]([O:8][C:9]([C:11]([C@H:13]1[N:16]([CH:17]([CH2:27][C:28]2[CH:33]=[CH:32][C:31]([O:34][CH3:35])=[CH:30][CH:29]=2)[CH2:18][C:19]2[CH:24]=[CH:23][C:22]([O:25][CH3:26])=[CH:21][CH:20]=2)[C:15](=[O:36])[C@@H:14]1[C@H:37]([O:39][C:40]([O:42][CH2:43][C:44]1[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=1)=[O:41])[CH3:38])=[CH2...
1
ClCC(C)=O.N1(CCCC1)CCCOC1=CC=C(C=C1)C1(CCOCC1)C(N)=S>ClCCl.CCO[H]>CC=1N=C(SC1)C1(CCOCC1)C1=CC=C(C=C1)OCCCN1CCCC1
3
Cl.[Cl:2][CH2:3][CH2:4][CH2:5][NH2:6].[CH3:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12].[C:13]([O:16]CC)(=[O:15])C>C(OCC)C.CCCCCC>[Cl:2][CH2:3][CH2:4][CH2:5][NH:6][C:13](=[O:15])[O:16][C:9]1[CH:8]=[CH:7][CH:12]=[CH:11][CH:10]=1
1
CC(=CC(=O)OC)CCC=C(C)C>O.CCO[H].Cc(c[c-](C)o1)o[Fe+3]123(oc(c[c-](C)o2)C)oc(c[c-](C)o3)C.C1(=CC=CC=C1)[SiH3].C(CO)O>CC1(C(CCC1)(C)C)CC(=O)OC
3
C(C)N=C=O.FC=1C=C(N)C=CC1B1OC(C(O1)(C)C)(C)C>ClCCl>C(C)NC(=O)NC1=CC(=C(C=C1)B1OC(C(O1)(C)C)(C)C)F
3
[Br:1][C:2]1[C:7]2[N:8]([CH3:13])[C:9]([CH2:11][OH:12])=[N:10][C:6]=2[CH:5]=[CH:4][CH:3]=1>C(Cl)Cl.O=[Mn]=O>[Br:1][C:2]1[C:7]2[N:8]([CH3:13])[C:9]([CH:11]=[O:12])=[N:10][C:6]=2[CH:5]=[CH:4][CH:3]=1
2
[CH2:1]([Li])[CH2:2][CH2:3][CH3:4].[CH3:6][C:7]1[CH:14]=[CH:13][CH:12]=[CH:11][C:8]=1[CH2:9][OH:10].BrCCCC.O>CCCCCC.CCOCC>[CH2:6]([C:7]1[CH:14]=[CH:13][CH:12]=[CH:11][C:8]=1[CH2:9][OH:10])[CH2:1][CH2:2][CH2:3][CH3:4]
1
[Cl:1][C:2]1[C:7]([Cl:8])=[CH:6][CH:5]=[CH:4][C:3]=1[C:9]1[NH:13][N:12]=[N:11][N:10]=1.Br.Br[CH2:16][C:17]1[CH:22]=[CH:21][N:20]=[CH:19][CH:18]=1.C(N(CC)CC)C>CC#N>[Cl:1][C:2]1[C:7]([Cl:8])=[CH:6][CH:5]=[CH:4][C:3]=1[C:9]1[N:13]([CH2:16][C:17]2[CH:22]=[CH:21][N:20]=[CH:19][CH:18]=2)[N:12]=[N:11][N:10]=1
2
C(C)OC(=O)C1CN(CCC1)C(=O)OC(C)(C)C>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>CC1(CN(CCC1)C(=O)OC(C)(C)C)C(=O)OCC
3
CC1(CCC1)C=O.FC(C1(CCNCC1)N1N=CC(=C1)CC=1C=2C3=C(C(NC3=CC1)=O)C=CC2)(F)F>C1CCCO1.C1(=CC=CC=C1)[SiH3].C(CCC)[Sn](CCCC)(Cl)Cl>CC1(CCC1)CN1CCC(CC1)(C(F)(F)F)N1N=CC(=C1)CC=1C=2C3=C(C(NC3=CC1)=O)C=CC2
3
FC(C(=O)NNC(=O)C1=CC(=C(CN(S(=O)(=O)N2CCN(CC2)C2COC2)C2=CC=CC=C2)C=C1)F)F>C1CCCO1.C(O)([O-])=O.[Na+].CC[N+](CC)(CC)S(=O)(=O)N=C([O-])OC>FC(C1=NN=C(O1)C1=CC(=C(CN(S(=O)(=O)N2CCN(CC2)C2COC2)C2=CC=CC=C2)C=C1)F)F
3
FC1=C(C(=CC=C1O)F)C(=O)N.BrCC1=NC(=NS1)C1=CC=C(C=C1)OC(F)(F)F>>FC1=C(C(=O)N)C(=CC=C1OCC1=NC(=NS1)C1=CC=C(C=C1)OC(F)(F)F)F
5
[F:1][C:2]([F:11])([C:7]([F:10])([F:9])[F:8])[CH2:3][CH2:4][CH2:5][OH:6].C(N(CC)CC)C.[CH3:19][S:20](Cl)(=[O:22])=[O:21]>ClCCl>[CH3:19][S:20]([O:6][CH2:5][CH2:4][CH2:3][C:2]([F:11])([F:1])[C:7]([F:8])([F:9])[F:10])(=[O:22])=[O:21]
2
C(C)(C)(C)OC(=O)N1CCC=CC1=O>>C(C)(C)(C)OC(=O)N1C(C=2C(CC1)=CNC2)=O
5
CC(C)(C)OC(NS(=O)(=O)NC1=CC(=CC=C1)C1=NC(CC2=CC(=C3C(=C12)CC(O3)(C)C)OC)(C)C)=O>N(C)(C)C=O.[H-].[Na+].BrCCBr>CC(C)(C)OC(=O)N1S(N(CC1)C1=CC(=CC=C1)C1=NC(CC2=CC(=C3C(=C12)CC(O3)(C)C)OC)(C)C)(=O)=O
3
CC1=C(C=CC(=C1)C)C(/C=C/C(=O)O)=O.C(CC)N1C=CC2=CC=CC=C12>>CC1=C(C=CC(=C1)C)C(CC(C(=O)O)C1=CN(C2=CC=CC=C12)CCC)=O
5
[OH-].[K+].[Cl:3][C:4]1[CH:18]=[CH:17][C:7]([O:8][C:9]2[CH:10]=[CH:11][CH:12]=[C:13]([CH3:16])[C:14]=2[OH:15])=[CH:6][CH:5]=1.S(OC)(O[CH3:23])(=O)=O>O>[CH3:23][O:15][C:14]1[C:13]([CH3:16])=[CH:12][CH:11]=[CH:10][C:9]=1[O:8][C:7]1[CH:6]=[CH:5][C:4]([Cl:3])=[CH:18][CH:17]=1
1
[C:1]([O:5][C:6](=[O:32])[C:7](=N)[CH2:8][C@H:9]([NH:13][C:14]([O:16][CH2:17][CH:18]1[C:30]2[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=2[C:24]2[C:19]1=[CH:20][CH:21]=[CH:22][CH:23]=2)=[O:15])C(Cl)O)([CH3:4])([CH3:3])[CH3:2].[C:33]([O:38][CH3:39])(=[O:37])[C:34]([CH3:36])=[CH2:35].C([N:42]([CH:46](C)C)C(C)C)C.CC[O:51]CC>>[CH3...
1
BrC=1C(=NNC1)C.CS(=O)(=O)C=1C=CC=2C3=C(N(C2C1)[C@@H](C1CCOCC1)C1=CC=CC=C1)C=C(C=N3)B(O)O>>CS(=O)(=O)C=1C=CC=2C3=C(N(C2C1)[C@H](C1=CC=CC=C1)C1CCOCC1)C=C(C=N3)C=3C(=NNC3)C
5
C(CCC#C)O.FC=1C=C(C(=C(C(=O)OC)C1)OS(=O)(=O)C(F)(F)F)C>>FC=1C=C(C(=C(C(=O)OC)C1)C#CCCCO)C
5
Cl.COC([C@H]1NC[C@@H](C1)O)=O.FC(CN1CCC(CC1)COC1=CC=C(C=N1)C1=CC(=C(C(=O)O)C=C1)F)(CC)F>O.ClCCl.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>FC(CN1CCC(CC1)COC1=CC=C(C=N1)C1=CC(=C(C(=O)N2[C@@H](C[C@H](C2)O)C(=O)OC)C=C1)F)(CC)F
3
ClC(=O)OCCC.NC1=CC=C2C(=CN(C2=C1)C1=CC=C(C=C1)OC)C#N>CCN(CC)CC.CCO[H]>C(CC)OC(NC1=CC=C2C(=CN(C2=C1)C1=CC=C(C=C1)OC)C#N)=O
3
C(O[C:4](=[C:11]1[C:19]2[C:14](=[CH:15][CH:16]=[C:17]([N+:20]([O-:22])=[O:21])[CH:18]=2)[NH:13][C:12]1=[O:23])[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)C.[N:24]1([CH2:30][CH2:31][C:32]2[CH:38]=[CH:37][C:35]([NH2:36])=[CH:34][CH:33]=2)[CH2:29][CH:28]=[CH:27][CH2:26][CH2:25]1>>[N:24]1([CH2:30][CH2:31][C:32]2[CH:33]=[CH:3...
1
CC1(C(N(C(O1)=O)CC1=C(C=CC=C1)[N+](=O)[O-])=O)C>O.C1CCCO1.[Fe].CCO[H].[Cl-].[NH4+]>NC1=C(CN2C(OC(C2=O)(C)C)=O)C=CC=C1
3
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[O:9][C:8]([C:10]3[N:11]=[C:12]4[N:16]([CH:17]=3)[N:15]=[C:14]([O:18][CH3:19])[S:13]4)=[CH:7][C:6]2=[C:20]([OH:22])[CH:21]=1.O[CH2:24][C:25]1[N:26]=[C:27]([C:30]2([OH:35])[CH2:34][CH2:33][O:32][CH2:31]2)[S:28][CH:29]=1.C(P(CCCC)CCCC)CCC.N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O>C1COCC1.CCOC(C)=O.CC...
2
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:13]([CH3:14])=[CH:12][CH:11]=[C:10]([C:15]([NH:17][C:18]3[CH:23]=[CH:22][CH:21]=[C:20]([C:24]([F:27])([F:26])[F:25])[CH:19]=3)=[O:16])[CH:9]=2)=[CH:4][CH:3]=1.Cl[C:29]1[C:34]([I:35])=[CH:33][N:32]=[CH:31][N:30]=1.C(O)C.C([O-])([O-])=O.[Na+].[Na+]>>[I:35][C:34]1[C:29]([NH:1][C:2]...
1
CN1N=CC(=C1)B1OC(C(O1)(C)C)(C)C.ClC=1C=C2C(=NC1)C=CC1=C(C2=O)C=C(C=C1)CS(=O)(=O)NCC1=NC=CC=C1>N(C)(C)C=O.[F-].[K+].[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.F[B-](F)(F)F.C(C)(C)(C)[PH+](C(C)(C)C)C(C)(C)C>CN1N=CC(=C1)C=1C=C2C(=NC1)C=CC1=C(C2=O)C=C(C=C1)CS(=...
3
NC1=C(C=CC=C1)N.C(C)(C)(C)OC(=O)N[C@@H](C(=O)O)CC1=CC=C(C=C1)C(F)(F)F>CC#N.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F.C(C)N1CCOCC1>N1C(=NC2=C1C=CC=C2)[C@@H](CC2=CC=C(C=C2)C(F)(F)F)NC(OC(C)(C)C)=O
3
FC(C(=O)O)(F)F.O.C(C)(C)(C)O[C@H](C)[C@@H]1N(C(OC1)=O)C1=NC(=NC=C1)N[C@@H](C)C=1OC(=CN1)C1=CC=C(C=C1)Cl>>ClC1=CC=C(C=C1)C1=CN=C(O1)[C@H](C)NC1=NC=CC(=N1)N1C(OC[C@@H]1[C@@H](C)O)=O
3
FC=1C=C(C=CC1)N=C=O.N[C@@](C(=O)O)(CC)C>O.ClCCl.Cl.[OH-].[Na+].C(C)(=O)OCC>FC=1C=C(C=CC1)NC(=O)N[C@](C)(CC)C(=O)O
3
OCCOC1C[C@@H](N([C@@H](C1)C)C(=O)OC(C)(C)C)C>>C(C)(C)(C)OC(=O)N1[C@H](CC(C[C@H]1C)OCCBr)C
5
N1CCC(CC1)N1C(NC2=C1C(=CC=C2)C(F)(F)F)=O.N1CCCC2=CC(=CC=C12)CC(=O)O>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>N1CCCC2=CC(=CC=C12)CC(=O)N1CCC(CC1)N1C(NC2=C1C(=CC=C2)C(F)(F)F)=O
3
[OH:1][C:2]1[CH:30]=[CH:29][C:5]2[C:6](=[O:28])/[C:7](=[CH:9]/[C:10]3[C:18]4[C:13](=[CH:14][CH:15]=[C:16]([O:19][CH2:20][CH2:21][N:22]5[CH2:27][CH2:26][O:25][CH2:24][CH2:23]5)[CH:17]=4)[NH:12][CH:11]=3)/[O:8][C:4]=2[C:3]=1[CH2:31][N:32]1[CH2:37][CH2:36][N:35](C(OC(C)(C)C)=O)[CH2:34][CH2:33]1.[ClH:45]>C(Cl)Cl.O1CCOCC1>[...
1
C(C)N1N=C(C=2CC(CCC12)=O)CC>CO[H].[Na+].[BH4-]>C(C)N1N=C(C=2CC(CCC12)O)CC
3
[NH:1]1[CH2:6][CH2:5][CH2:4][CH:3]([O:7][C:8]2[CH:27]=[CH:26][C:11]3[C:12]4[N:16]([CH2:17][CH2:18][O:19][C:10]=3[CH:9]=2)[CH:15]=[C:14]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][N:21]=2)[N:13]=4)[CH2:2]1.[CH3:28][C:29]([CH3:31])=O.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C([O-])(O)=O.[Na+]>C(Cl)Cl.CCOC(C)=O.O.CC(O)=O>[CH:29]([...
1
C(#N)C1=CC=C(C=C1)CC(=O)O>CO[H].ClS(Cl)=O>C(#N)C1=CC=C(C=C1)CC(=O)OC
3
[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[O:9][C:8]([C:10](=[O:12])[NH2:11])=[C:7]([NH:13][C:14]([CH:16]3[CH2:19]N(C(OC(C)(C)C)=O)[CH2:17]3)=[O:15])[C:6]=2[CH:27]=1.[C:28]([O:32][C:33]([N:35]1[CH2:44][CH2:43][C:42]2[C:37](=[CH:38]C=C(C(O)=O)C=2)[CH2:36]1)=[O:34])([CH3:31])([CH3:30])[CH3:29].C(N1CC(C(O)=O)C1)(OC(C)(C)C)=O>>[Br:1]...
2
ICCCC.C(C)(C)(C)OC(=O)N[C@@H]1CC[C@H](CC1)O>>C(CCC)O[C@@H]1CC[C@H](CC1)NC(OC(C)(C)C)=O
5
[CH2:1]([C:3]1[CH:8]=[CH:7][C:6]([C@@H:9]2[CH2:13][CH2:12][CH2:11][NH:10]2)=[CH:5][CH:4]=1)[CH3:2].[Cl:14][C:15]1[CH:20]=[CH:19][C:18]([S:21](Cl)(=[O:23])=[O:22])=[CH:17][CH:16]=1>>[CH2:1]([C:3]1[CH:4]=[CH:5][C:6]([CH:9]2[CH2:13][CH2:12][CH2:11][N:10]2[S:21]([C:18]2[CH:19]=[CH:20][C:15]([Cl:14])=[CH:16][CH:17]=2)(=[O:2...
1
BrC=1C=CC(=C(C1)S(=O)(=O)NC1CCCCC1)Cl.C(C)(C)(C)OC(=O)N1C(=CC2=C(C=CC=C12)C)B(O)O>O.O1CCOCC1.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2].[F-].[Cs+]>C(C)(C)(C)OC(=O)N1C(=CC2=C(C=CC=C12)C)C1=CC(=C(C=C1)Cl)S(NC1CCCCC1)(=O)=O
3
Br[C:2]1[C:3]2[C:8]([C:9]3[CH:10]=[CH:11][CH:12]=[CH:13][C:14]=3[CH:15]=1)=[CH:7][CH:6]=[CH:5][CH:4]=2.[Cl-].[Al+3].[Cl-].[Cl-].Cl>C1C=CC=CC=1>[CH:2]1[C:3]2=[C:8]3[C:10]([C:9]4[CH:14]=[CH:15][CH:2]=[C:3]5[C:8]=4[C:7]2=[CH:6][C:5]2[CH:4]=[CH:5][CH:6]=[CH:7][C:4]5=2)=[CH:11][C:12]2[CH:13]=[CH:13][CH:12]=[CH:11][C:10]=2[C...
1
ClC=1C=CC(=C(C1)C(C(=O)N)(F)F)OCC(C)C>>ClC=1C=CC(=C(C1)C(C(N)=S)(F)F)OCC(C)C
5
[OH:1][C:2]1[C:3]([Br:13])=[C:4]([C:8]([Br:12])=[CH:9][C:10]=1[Br:11])[C:5]([NH2:7])=[O:6].[Na].Br[CH2:16][C:17]([O:19][CH2:20]C)=[O:18]>CO>[CH3:20][O:19][C:17](=[O:18])[CH2:16][O:1][C:2]1[C:10]([Br:11])=[CH:9][C:8]([Br:12])=[C:4]([C:5](=[O:6])[NH2:7])[C:3]=1[Br:13]
1
CC(C[AlH]CC(C)C)C.[C:10]([C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1[S:18]([N:21]([CH3:23])[CH3:22])(=[O:20])=[O:19])#N.C[OH:25].Cl>C(OCC)C.ClCCl>[CH:10]([C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1[S:18]([N:21]([CH3:23])[CH3:22])(=[O:20])=[O:19])=[O:25]
2
C([O:3][C:4]([C:6]1[N:7]=[C:8]([NH2:11])[S:9][CH:10]=1)=[O:5])C.[C:12]1([CH2:18][O:19][C:20]2[CH:28]=[CH:27][C:23]([C:24](Cl)=[O:25])=[CH:22][CH:21]=2)[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.C(#N)C>C(Cl)Cl>[C:12]1([CH2:18][O:19][C:20]2[CH:21]=[CH:22][C:23]([C:24]([NH:11][C:8]3[S:9][CH:10]=[C:6]([C:4]([OH:3])=[O:5])[N:7...
1
[CH3:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:10]=1[N:9]([CH2:11][CH2:12][N:13]1[CH2:17][CH2:16][CH2:15][CH2:14]1)[CH:8]=[C:7]2[C:18](O)=[O:19].Cl.[F:22][C:23]([F:42])([F:41])[C:24]([NH:26][CH2:27][C:28]1[CH:33]=[CH:32][C:31]([F:34])=[C:30]([CH:35]2[CH2:40][CH2:39][NH:38][CH2:37][CH2:36]2)[CH:29]=1)=[O:25]>>[F:42][C:23]([F...
2
[H-].[Al+3].[Li+].[H-].[H-].[H-].[Cl:7][C:8]1[CH:9]=[C:10]([CH:16]=[CH:17][CH:18]=1)[CH:11]=[CH:12][C:13](O)=[O:14]>C1COCC1>[Cl:7][C:8]1[CH:9]=[C:10]([CH2:11][CH2:12][CH2:13][OH:14])[CH:16]=[CH:17][CH:18]=1
1
ClC1=C(C=C(C(=O)OC)C=C1[N+](=O)[O-])S(=O)(=O)C>C1CCCO1.CO[H].CCN(CC)CC.[Pd]C>COC(C1=CC(=CC(=C1)S(=O)(=O)C)N)=O
3
[NH2:1][C@@H:2]1[C:7]2[CH:8]=[C:9]([S:12]([C:15]([F:18])([F:17])[F:16])(=[O:14])=[O:13])[CH:10]=[CH:11][C:6]=2[O:5][C:4]([CH3:20])([CH3:19])[C@H:3]1[OH:21].[CH:22]([C:24]1[CH:33]=[CH:32][CH:31]=[C:30]([N+:34]([O-:36])=[O:35])[C:25]=1[C:26](OC)=[O:27])=O.C([BH3-])#N.[Na+]>[Cl-].[Zn+2].[Cl-]>[CH3:20][C:4]1([CH3:19])[C@@H...
1
C[Si](CCOCN1N=CC(=C1)C1CCC(CC1)=O)(C)C>C1CCCO1.FC(S(=O)(=O)N(S(=O)(=O)C(F)(F)F)C1=NC=C(C=C1)Cl)(F)F.C(C)(C)[N-]C(C)C.[Li+]>FC(S(=O)(=O)OC1=CCC(CC1)C=1C=NN(C1)COCC[Si](C)(C)C)(F)F
3
IC1=NN(C2=CC=C(C=C12)[N+](=O)[O-])COCC[Si](C)(C)C.FC=1C=C(C=CC1)C#C>[Cu]I.N(C)(C)C=O.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>FC=1C=C(C=CC1)C#CC1=NN(C2=CC=C(C=C12)[N+](=O)[O-])COCC[Si](C)(C)C
3
[O:1]1CCO[CH:2]1[CH2:6][N:7]1[C:16]2[C:11](=[C:12]([O:17][CH2:18][C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=3)[CH:13]=[CH:14][CH:15]=2)[CH:10]=[CH:9][C:8]1=[O:25]>FC(F)(F)C(O)=O>[CH2:18]([O:17][C:12]1[CH:13]=[CH:14][CH:15]=[C:16]2[C:11]=1[CH:10]=[CH:9][C:8](=[O:25])[N:7]2[CH2:6][CH:2]=[O:1])[C:19]1[CH:20]=[CH:21][CH:...
1
O1CCCC=C1.BrCC(CBr)O>C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>BrCC(OC1OCCCC1)CBr
3
ClC1=NC=CC=N1.Br.Br.Br.NCCN1CCC(CC1)NC1=NC2=C(N1CC1=CC=C(C=C1)F)C=CC(=C2)O>CCO[H].C(O)([O-])=O.[Na+]>FC1=CC=C(C=C1)CN1C(=NC2=C1C=CC(=C2)O)NC2CCN(CC2)CCNC2=NC=CC=N2
3
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[CH2:12][CH:11]([CH2:13]OS(C)(=O)=O)[O:10][N:9]=2)=[N:6][CH:7]=1.[N-:19]=[N+:20]=[N-:21].[Na+].[Cl-].[Na+]>CN(C)C=O>[N:19]([CH2:13][CH:11]1[O:10][N:9]=[C:8]([C:5]2[CH:4]=[CH:3][C:2]([Br:1])=[CH:7][N:6]=2)[CH2:12]1)=[N+:20]=[N-:21]
1
[F:1][C@H:2]1[C@H:8]([NH:9]C(=O)OC(C)(C)C)[CH2:7][CH2:6][C@@H:5]([C:17]2[N:21]([CH3:22])[N:20]=[CH:19][C:18]=2[N+:23]([O-])=O)[O:4][CH2:3]1.[F:26][C:27]([F:43])([F:42])[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=1[C:34]1[S:35][CH:36]=[C:37]([C:39](O)=[O:40])[N:38]=1>>[NH2:9][C@H:8]1[C@H:2]([F:1])[CH2:3][O:4][C@H:5]([C:...
1
BrCCCCCCCCCC=C.OCCOCCOCCOCCO>[OH-].[Na+]>C(CCCCCCCCC=C)OCCOCCOCCOCCO
3
[C:1]([O:5][C:6]([N:8]1[CH2:11][CH:10]([OH:12])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[H-].[Na+].[OH2:15].[CH2:16]1[CH2:20][O:19]C[CH2:17]1>>[C:1]([O:5][C:6]([N:8]1[CH2:11][CH:10]([O:12][C@@H:16]([C:20]([OH:19])=[O:15])[CH3:17])[CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3]
2
C[O:2][C:3]([C:5]1[C:17]2[C:16]3[C:11](=[C:12]([Cl:18])[CH:13]=[CH:14][CH:15]=3)[N:10]([CH2:19][CH2:20][CH:21]3C[CH2:25][CH2:24][CH2:23][CH2:22]3)[C:9]=2[C:8]([O:27][CH3:28])=[CH:7][CH:6]=1)=[O:4]>CO.[OH-].[Na+]>[Cl:18][C:12]1[CH:13]=[CH:14][CH:15]=[C:16]2[C:11]=1[N:10]([CH2:19][CH:20]1[CH2:21][CH2:22][CH2:23][CH2:24][...
2
ClC1=CC=C(C(=C1CN([C@@H](CC(C)(C)C)CN(C)C)CC=1C=C(CN2S(CCC2C(=O)O)(=O)=O)C=CC1)F)OC.C[C@H]1[C@H]2C([C@@H](C[C@@H]1N)C2)(C)C>>C[C@H]1[C@H]2C([C@@H](C[C@@H]1NC(=O)C1N(S(CC1)(=O)=O)CC1=CC(=CC=C1)CN([C@@H](CC(C)(C)C)CN(C)C)CC1=C(C(=CC=C1Cl)OC)F)C2)(C)C
3
[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.[OH:11]O.F>>[C:9]1([OH:11])[C:10]2[C:5](=[CH:4][CH:3]=[CH:2][CH:1]=2)[CH:6]=[CH:7][CH:8]=1.[CH:9]1[C:10]2[C:5](=[CH:4][CH:3]=[CH:2][CH:1]=2)[CH:6]=[CH:7][C:8]=1[OH:11].[CH:9]1[C:10]2[C:5](=[CH:4][CH:3]=[CH:2][CH:1]=2)[CH:6]=[CH:7][CH:8]=1
1
[NH2:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][CH:3]=1.Br[CH2:11][CH2:12][CH2:13][CH2:14][O:15][C:16]1[CH:21]=[CH:20][C:19]([C:22](=[O:24])[CH3:23])=[C:18]([OH:25])[C:17]=1[CH2:26][CH2:27][CH3:28].C[Si]([N-][Si](C)(C)C)(C)C.[K+].C1(C)C=CC=CC=1>O1CCCC1>[C:22]([C:19]1[CH:20]=[CH:21][C:16]([O:15][CH2:14][CH2:13][CH2:...
2
NC1C([Br:12])=CC=CC=1C(OC)=O.[CH:13]([O:16][C:17]([N:19]1[CH2:25][CH2:24][CH2:23][CH:22]([N:26]([C:42](=[O:44])[CH3:43])[CH2:27][C:28]2[CH:33]=[C:32]([C:34]([F:37])([F:36])[F:35])[CH:31]=[C:30]([C:38]([F:41])([F:40])[F:39])[CH:29]=2)[C:21]2[CH:45]=[CH:46][CH:47]=[CH:48][C:20]1=2)=[O:18])([CH3:15])[CH3:14]>>[C:42]([N:26...
1
NC1=NNC(=C1)C.ClC1=NC(=NC(=C1)Cl)C1=C(C=CC=C1)Cl>N(C)(C)C=O.[I-].[Na+].C(C)(C)N(C(C)C)CC>ClC1=CC(=NC(=N1)C1=C(C=CC=C1)Cl)NC1=NNC(=C1)C
3
ClC1=C(C(=CC=C1)Cl)O>C(CC)(=O)O.FC(S(=O)(=O)O)(F)F>ClC1=C(C(=CC(=C1)C(CC)=O)Cl)O
3
ClC1=C(C(=CC=C1)Cl)N1N=CC=C1C1=CN=C(S1)NCC1=C(C=C(C=C1)OC)OC>>ClC1=C(C(=CC=C1)Cl)N1N=CC=C1C1=CN=C(S1)N
5
BrC=1C=CC2=C(C(=C(O2)CCC(C)=O)C=2OC(=CC2)C)C1>O.BrBr.[OH-].[Na+].O1CCOCC1.C(C)(=O)O>BrC=1C=CC2=C(C(=C(O2)CCC(=O)O)C=2OC(=CC2)C)C1
3
COC1=C(C=C(C=C1)C1=C(C=C(C=C1)C(=O)O)C)C1=C(C=C(C=C1)C(F)(F)F)CN1C(O[C@@H]([C@@H]1C)C1=CC(=NC=C1)C)=O>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl.N.C(C)(C)N(C(C)C)CC>COC1=C(C=C(C=C1)C1=C(C=C(C=C1)C(=O)N)C)C1=C(C=C(C=C1)C(F)(F)F)CN1C(O[C@@H]([C@@H]1C)C1=CC(=NC=C1)C)=O
3
[F:1][C:2]([F:16])([F:15])[C:3]1[CH:4]=[C:5]([C:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH:14]=2)[CH:6]=[CH:7][CH:8]=1.[CH2:17]([N:19](CC)CC)[CH3:18].[Cl:24]CC#N.Cl>C(O)C.C(O)(C)C>[ClH:24].[F:16][C:2]([F:1])([F:15])[C:3]1[CH:4]=[C:5]([C:9]2[CH2:14][CH2:13][N:12]([CH2:18][C:17]#[N:19])[CH2:11][CH:10]=2)[CH:6]=[CH:7][CH:8]=1
1
[OH2:1].C([O:6]C([NH:9][C@@H:10]([CH3:28])[C:11]([NH:13][C@@:14]1([C:25]([OH:27])=[O:26])[CH2:21][C:18]2([CH2:20][CH2:19]2)[C@@H:17]2[C@H:15]1[C@H:16]2[C:22]([OH:24])=[O:23])=[O:12])=O)(C)(C)C.Cl.[OH-].[Na+]>C(O)C>[OH2:6].[OH2:1].[NH2:9][C@@H:10]([CH3:28])[C:11]([NH:13][C@@:14]1([C:25]([OH:27])=[O:26])[CH2:21][C:18]2([...
1
[F:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[N+:11]([O-:13])=[O:12])[C:5]([OH:7])=[O:6].[CH3:14]COC(C)=O>>[F:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[N+:11]([O-:13])=[O:12])[C:5]([O:7][CH3:14])=[O:6]
1
[O:1]=[C:2]1[CH2:6][S:5][C:4](=[S:7])[N:3]1[C:8]1[CH:9]=[C:10]([CH:14]=[CH:15][CH:16]=1)[C:11]([OH:13])=[O:12].[Cl:17][C:18]1[CH:23]=[CH:22][C:21]([C:24]([F:27])([F:26])[F:25])=[CH:20][C:19]=1[C:28]1[CH:32]=[CH:31]OC=1C=O.N1CCCCC1.Cl.[CH2:42]([OH:44])[CH3:43]>>[Cl:17][C:18]1[CH:23]=[CH:22][C:21]([C:24]([F:25])([F:26])[...
2
[CH:1]1([NH:4][C:5]2[C:10]([C:11]([NH2:13])=[O:12])=[CH:9][N:8]=[C:7]([NH:14][C:15]3[CH:20]=[CH:19][C:18]([CH:21]4[CH2:26][CH2:25][N:24]([S:27]([CH2:30][CH3:31])(=[O:29])=[O:28])[CH2:23][CH2:22]4)=[CH:17][CH:16]=3)[N:6]=2)[CH2:3][CH2:2]1.[CH3:32]C(S(Cl)(=O)=O)C>>[CH:1]1([NH:4][C:5]2[C:10]([C:11]([NH2:13])=[O:12])=[CH:9...
2
[CH2:1](Cl)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[OH:9][C:10]1[CH:11]=[C:12]([CH:16]=[C:17]([F:20])[C:18]=1O)[CH2:13][C:14]#[N:15].[C:21]([O-:24])([O-])=O.[K+].[K+]>>[CH2:1]([O:9][C:10]1[CH:11]=[C:12]([CH:16]=[C:17]([F:20])[C:18]=1[O:24][CH2:21][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1)[CH2:13][C:14]#[N:15])[C:2]1[CH...
1
BrC1=CC=C(C(=O)C2=CC=CC=C2)C=C1>C1(=CC=CC=C1)C.O.C1(=CC=C(C=C1)S(=O)(=O)O)C.C(CO)O>C1(=CC=CC=C1)C1(OCCO1)C1=CC=C(C=C1)Br
3
[NH2:1][C:2]1[CH:3]=[C:4]2[C:20](=[O:21])[NH:19][N:18]=[CH:17][C:6]3=[C:7]([C:11]4[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=4)[NH:8][C:9]([CH:10]=1)=[C:5]23.[N:22]1([CH2:27][C:28](O)=[O:29])[CH:26]=[N:25][N:24]=[N:23]1.C(N(CC)CC)C.F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2N=CC=CC=2N=N1>CN(C)C=O>[O:21]=[C:20]1[C:4]2[C:5]3[...
1
C(C)OC(=O)C=1C(=NN(C1)CC=1C=C2C=C(C=NC2=C(C1)S(=O)(=O)C)C)C#N>O.[OH-].[Na+].C(C)(C)O>C(#N)C1=NN(C=C1C(=O)O)CC=1C=C2C=C(C=NC2=C(C1)S(=O)(=O)C)C
3
CC1(OI(C2=C1C=CC=C2)C(F)(F)F)C.C1(CC1)C1=C2CCN3C(C2=CC=C1)=CC(=NCC3=O)N3C=NC(=C3)CO>>C1(CC1)C1=C2CCN3C(C2=CC=C1)=CC(=NCC3=O)N3C=NC(=C3)COC(F)(F)F
5
[H-].[Na+].[Br:3][C:4]1[S:5][C:6]([C:10]2[NH:11][CH:12]=[CH:13][N:14]=2)=[C:7]([Br:9])[N:8]=1.[CH3:15][Si:16]([CH3:23])([CH3:22])[CH2:17][CH2:18][O:19][CH2:20]Cl>C1COCC1>[Br:3][C:4]1[S:5][C:6]([C:10]2[N:14]([CH2:20][O:19][CH2:18][CH2:17][Si:16]([CH3:23])([CH3:22])[CH3:15])[CH:13]=[CH:12][N:11]=2)=[C:7]([Br:9])[N:8]=1
1
[CH3:1][S:2][C:3]1[CH:4]=[CH:5][C:6]([N:19]2[C:27]3[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=3)[CH2:21][CH2:20]2)=[C:7]([NH:9][C:10]([N:12]2[CH2:17][CH2:16][N:15]([CH3:18])[CH2:14][CH2:13]2)=O)[CH:8]=1.N1C2C=CC=CC=2C=CC=N1>>[CH3:1][S:2][C:3]1[CH:4]=[CH:5][C:6]2[N:19]3[CH2:20][CH2:21][C:22]4[C:27]3=[C:26]([CH:25]=[CH:24][CH...
1
ClC=1C2=C(N=CN1)N(C(C[C@H]2C)=O)C(=O)OC(C)(C)C>>ClC=1C2=C(N=CN1)NC(C[C@H]2C)=O
5
ClC=1C(=C(C(=C(C1)C(C)O)OC)C1CN(C1)C(=O)OC(C)(C)C)F>N(C)(C)C=O.O.ClCCl.N1=C(Cl)N=C(Cl)N=C1Cl>ClC=1C(=C(C(=C(C1)C(C)Cl)OC)C1CN(C1)C(=O)OC(C)(C)C)F
3
[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6]([C:11]([O:13][CH2:14][CH3:15])=[O:12])=[CH:5]2.I[C:17]1[CH:18]=[C:19]([C:23]([F:26])([F:25])[F:24])[CH:20]=[CH:21][CH:22]=1.P([O-])([O-])([O-])=O.[K+].[K+].[K+]>[Cu](I)I>[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([C:17]1[CH:22]=[CH:21][CH:20]=[C:19]...
1
[C:1]1([CH2:11][C:12]#[N:13])[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.[OH-].[Na+].[N:16](OC)=[O:17].S(=O)(=O)(O)O.N([O-])=O.[Na+]>CO.O>[OH:17][N:16]=[C:11]([C:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1)[C:12]#[N:13]
1