PatentNumber
stringlengths
10
12
Year
int64
1.98k
2.02k
reactions
stringlengths
20
1.76k
canonical_reactions
stringlengths
20
1.76k
US03931193
1,976
CCOCC.COc1ccc2nccc(Br)c2c1.[Li]CCCC.[Li]c1ccnc2ccc(OC)cc12>CCCCCC.ClCCl>CCC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12.CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12
CCOCC.COc1ccc2nccc(Br)c2c1.[Li]CCCC.[Li]c1ccnc2ccc(OC)cc12>CCCCCC.ClCCl>CCC1CN2CCC1CC2[C@@H](O)c1ccnc2ccc(OC)cc12.CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12
US03931193
1,976
Brc1ccnc2cc3c(cc12)OCO3.C1CCOC1.CCOCC.[Li]CCCC>CCCCCC>[Li]c1ccnc2cc3c(cc12)OCO3
Brc1ccnc2cc3c(cc12)OCO3.C1CCOC1.CCOCC.[Li]CCCC>CCCCCC>[Li]c1ccnc2cc3c(cc12)OCO3
US03932168
1,976
CCN(CC)CC.Cl.N#CCN.O=C(Cl)COc1ccc(Cl)cc1Cl>C1C=CC=CC=1>N#CCNC(=O)COc1ccc(Cl)cc1Cl
CCN(CC)CC.Cl.N#CCN.O=C(Cl)COc1ccc(Cl)cc1Cl>C1C=CC=CC=1>N#CCNC(=O)COc1ccc(Cl)cc1Cl
US03932167
1,976
COC(=O)C(F)(F)F.C[O-].Cl.N=C(N)NC(=N)NCc1ccccc1.[Na+]>CO>Nc1nc(NCc2ccccc2)nc(C(F)(F)F)n1
COC(=O)C(F)(F)F.C[O-].Cl.N=C(N)NC(=N)NCc1ccccc1.[Na+]>CO>Nc1nc(NCc2ccccc2)nc(C(F)(F)F)n1
US03932167
1,976
CCN(CC)CC.ClC(Cl)(Cl)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.NCc1ccccc1>C1C=CC=CC=1>ClC(Cl)(Cl)c1nc(NCc2ccccc2)nc(C(Cl)(Cl)Cl)n1
CCN(CC)CC.ClC(Cl)(Cl)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.NCc1ccccc1>C1C=CC=CC=1>ClC(Cl)(Cl)c1nc(NCc2ccccc2)nc(C(Cl)(Cl)Cl)n1
US03932167
1,976
CN.CNc1nc(NCc2ccccc2)nc(C(Cl)(Cl)Cl)n1.N>>Nc1nc(NCc2ccccc2)nc(C(Cl)(Cl)Cl)n1
CN.CNc1nc(NCc2ccccc2)nc(C(Cl)(Cl)Cl)n1.N>>Nc1nc(NCc2ccccc2)nc(C(Cl)(Cl)Cl)n1
US03932181
1,976
C1CO1.CC1CO1.Oc1c(Br)cc(Br)cc1Br>[Cl-].C[N+](C)(C)C>CC(O)Oc1c(Br)cc(Br)cc1Br
C1CO1.CC1CO1.Oc1c(Br)cc(Br)cc1Br>[Cl-].C[N+](C)(C)C>CC(O)Oc1c(Br)cc(Br)cc1Br
US03932181
1,976
C1CO1.Oc1c(Br)cc(Br)cc1Br>[Cl-].C[N+](C)(C)C.C1C=CC=CC=1>CC(O)Oc1c(Br)cc(Br)cc1Br
C1CO1.Oc1c(Br)cc(Br)cc1Br>[Cl-].C[N+](C)(C)C.C1C=CC=CC=1>CC(O)Oc1c(Br)cc(Br)cc1Br
US03932240
1,976
COC(=O)CCC(C)=O.[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1>CO.C1CCCCC1>COC(=O)CCC(C)([c-]1cccc1)[c-]1cccc1.[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
COC(=O)CCC(C)=O.[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1>CO.C1CCCCC1>COC(=O)CCC(C)([c-]1cccc1)[c-]1cccc1.[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
US03932301
1,976
C(=Nc1ccccc1)c1ccccc1.Cc1ccc(-c2cc3ccc4ccccc4c3o2)cc1>>C(=Cc1ccc(-c2cc3ccc4ccccc4c3o2)cc1)c1ccccc1
C(=Nc1ccccc1)c1ccccc1.Cc1ccc(-c2cc3ccc4ccccc4c3o2)cc1>>C(=Cc1ccc(-c2cc3ccc4ccccc4c3o2)cc1)c1ccccc1
US03932301
1,976
C(=Nc1ccccc1)c1ccccc1.COc1ccc2cc(-c3ccc(C)cc3)oc2c1>>COc1ccc2cc(-c3ccc(C=Cc4ccccc4)cc3)oc2c1
C(=Nc1ccccc1)c1ccccc1.COc1ccc2cc(-c3ccc(C)cc3)oc2c1>>COc1ccc2cc(-c3ccc(C=Cc4ccccc4)cc3)oc2c1
US03932301
1,976
Cc1ccc(C(=O)CCl)cc1.O=C([O-])[O-].Oc1ccc(Cl)cc1Cl.[K+].[K+]>>Cc1ccc(C(=O)COc2ccc(Cl)cc2Cl)cc1
Cc1ccc(C(=O)CCl)cc1.O=C([O-])[O-].Oc1ccc(Cl)cc1Cl.[K+].[K+]>>Cc1ccc(C(=O)COc2ccc(Cl)cc2Cl)cc1
US03932301
1,976
C(=Nc1ccccc1)c1ccc(-c2ccccc2)cc1.CC(C)(C)[O-].Cc1ccc(-c2cc3cc(Cl)cc(Cl)c3o2)cc1.[K+]>>Clc1cc(Cl)c2oc(-c3ccc(C=Cc4ccc(-c5ccccc5)cc4)cc3)cc2c1
C(=Nc1ccccc1)c1ccc(-c2ccccc2)cc1.CC(C)(C)[O-].Cc1ccc(-c2cc3cc(Cl)cc(Cl)c3o2)cc1.[K+]>>Clc1cc(Cl)c2oc(-c3ccc(C=Cc4ccc(-c5ccccc5)cc4)cc3)cc2c1
US03932301
1,976
Cc1ccc(C(=O)CCl)cc1.O=C([O-])[O-].Oc1ccc2oc3ccccc3c2c1.[K+].[K+]>CC(C)=O>Cc1ccc(C(=O)COc2ccc3oc4ccccc4c3c2)cc1
Cc1ccc(C(=O)CCl)cc1.O=C([O-])[O-].Oc1ccc2oc3ccccc3c2c1.[K+].[K+]>CC(C)=O>Cc1ccc(C(=O)COc2ccc3oc4ccccc4c3c2)cc1
US03932318
1,976
CC(C)(C)[O-].O=C=Nc1ccccc1.O=CC(Cl)(Cl)Cl.[Li+]>C1(C)C=CC=CC=1>O=C=Nc1ccccc1.O=CC(Cl)(Cl)Cl
CC(C)(C)[O-].O=C=Nc1ccccc1.O=CC(Cl)(Cl)Cl.[Li+]>C1(C)C=CC=CC=1>O=C=Nc1ccccc1.O=CC(Cl)(Cl)Cl
US03932318
1,976
CC(C)(C)[O-].CC(C)=C=O.O=CC(Cl)(Cl)Cl.[Li+]>C1CCCCC1>CC(C)=C=O.O=CC(Cl)(Cl)Cl
CC(C)(C)[O-].CC(C)=C=O.O=CC(Cl)(Cl)Cl.[Li+]>C1CCCCC1>CC(C)=C=O.O=CC(Cl)(Cl)Cl
US03932318
1,976
CC(C)(C)[O-].O.O=C=Nc1ccccc1.O=CC(Cl)(Cl)Cl.[Li+]>C1CCCCC1>O=C=Nc1ccccc1.O=CC(Cl)(Cl)Cl
CC(C)(C)[O-].O.O=C=Nc1ccccc1.O=CC(Cl)(Cl)Cl.[Li+]>C1CCCCC1>O=C=Nc1ccccc1.O=CC(Cl)(Cl)Cl
US03932318
1,976
CCCCCCCCCCCCN=C=O.O=C=Nc1ccc(Cl)cc1.O=CC(Cl)(Cl)Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>C1C=CC=CC=1>CCCCCCCCCCCCN=C=O.O=C=Nc1ccc(Cl)cc1.O=CC(Cl)(Cl)Cl
CCCCCCCCCCCCN=C=O.O=C=Nc1ccc(Cl)cc1.O=CC(Cl)(Cl)Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>C1C=CC=CC=1>CCCCCCCCCCCCN=C=O.O=C=Nc1ccc(Cl)cc1.O=CC(Cl)(Cl)Cl
US03932318
1,976
CCCCCCN=C=O.O=C=Nc1ccc(Cl)cc1.O=CC(Cl)(Cl)Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>C1C=CC=CC=1>CCCCCCN=C=O.O=C=Nc1ccc(Cl)cc1.O=CC(Cl)(Cl)Cl
CCCCCCN=C=O.O=C=Nc1ccc(Cl)cc1.O=CC(Cl)(Cl)Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>C1C=CC=CC=1>CCCCCCN=C=O.O=C=Nc1ccc(Cl)cc1.O=CC(Cl)(Cl)Cl
US03932318
1,976
CC(C)[P+](OC=C(Cl)Cl)(C(C)C)C(C)C.O=CC(Cl)(Cl)Cl.[Cl-]>CCOCC>CC(C)P(C(C)C)C(C)C.O=CC(Cl)(Cl)Cl
CC(C)[P+](OC=C(Cl)Cl)(C(C)C)C(C)C.O=CC(Cl)(Cl)Cl.[Cl-]>CCOCC>CC(C)P(C(C)C)C(C)C.O=CC(Cl)(Cl)Cl
US03932318
1,976
ClP(c1ccccc1)c1ccccc1.Oc1ccccc1.c1ccncc1>CCOCC>OP(c1ccccc1)c1ccccc1
ClP(c1ccccc1)c1ccccc1.Oc1ccccc1.c1ccncc1>CCOCC>OP(c1ccccc1)c1ccccc1
US03932318
1,976
Cc1ccc(S)cc1.N#CCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>C1C=CC=CC=1>Cc1ccc(S[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
Cc1ccc(S)cc1.N#CCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>C1C=CC=CC=1>Cc1ccc(S[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
US03932318
1,976
CC#N.O=C=Nc1ccc(Cl)cc1.O=CC(Cl)(Cl)Cl.[Cl-].[Li+]>CN(C)C=O.C1(C)C=CC=CC=1>O=C=Nc1ccc(Cl)cc1.O=CC(Cl)(Cl)Cl
CC#N.O=C=Nc1ccc(Cl)cc1.O=CC(Cl)(Cl)Cl.[Cl-].[Li+]>CN(C)C=O.C1(C)C=CC=CC=1>O=C=Nc1ccc(Cl)cc1.O=CC(Cl)(Cl)Cl
US03932369
1,976
C1=CC2CCC1C2.O=S=O>CCCCCCC>C1=CC2CCC1C2.O=S=O
C1=CC2CCC1C2.O=S=O>CCCCCCC>C1=CC2CCC1C2.O=S=O
US03932386
1,976
CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O.CCCCC(CC)C(=O)O.CCNCC.C[O-].[Na+]>CCCCCC.C(O)C>CCCCC(CC)C(=O)[O-].[Na+]
CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O.CCCCC(CC)C(=O)O.CCNCC.C[O-].[Na+]>CCCCCC.C(O)C>CCCCC(CC)C(=O)[O-].[Na+]
US03932375
1,976
CC(=O)CC(C)=O.Cl.NC(N)=S>C(O)C>Cc1cc(C)nc(S)n1.Cl
CC(=O)CC(C)=O.Cl.NC(N)=S>C(O)C>Cc1cc(C)nc(S)n1.Cl
US03932375
1,976
CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O.CCN(CC)CC.O>O.C(O)C.O1CCOCC1>CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O
CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O.CCN(CC)CC.O>O.C(O)C.O1CCOCC1>CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O
US03932375
1,976
CCN(CC)CC.NCC(=O)O.O.O=C(O)CNC(=O)OC(c1ccccc1)c1ccccc1>O1CCOCC1>O=C(O)CNC(=O)C(c1ccccc1)c1ccccc1
CCN(CC)CC.NCC(=O)O.O.O=C(O)CNC(=O)OC(c1ccccc1)c1ccccc1>O1CCOCC1>O=C(O)CNC(=O)C(c1ccccc1)c1ccccc1
US03932390
1,976
C1N2CN3CN1CN(C2)C3.C=O.NS(N)(=O)=O.OCP(CO)CO>O>O=S1(=O)N2CN3CN1CP(C3)C2
C1N2CN3CN1CN(C2)C3.C=O.NS(N)(=O)=O.OCP(CO)CO>O>O=S1(=O)N2CN3CN1CP(C3)C2
US03932390
1,976
CC(C)(C)OO.O=S1(=O)N2CN3CN1CP(C3)C2>>O=P12CN3CN(C1)S(=O)(=O)N(C3)C2
CC(C)(C)OO.O=S1(=O)N2CN3CN1CP(C3)C2>>O=P12CN3CN(C1)S(=O)(=O)N(C3)C2
US03932390
1,976
C1N2CN3CN1CN(C2)C3.C=O.N.NS(N)(=O)=O.O=S1(=O)N2CN3CN1CP(C3)C2.OCP(CO)CO.[NH4+].[OH-]>O>C1N2CN3CP(C2)CN1S3
C1N2CN3CN1CN(C2)C3.C=O.N.NS(N)(=O)=O.O=S1(=O)N2CN3CN1CP(C3)C2.OCP(CO)CO.[NH4+].[OH-]>O>C1N2CN3CP(C2)CN1S3
US03932380
1,976
CC(=O)Nc1cccc2c(OC(C)=O)c(S(=O)(=O)Cl)ccc12.Cl.ClC(Cl)Cl.O=C([O-])[O-].[NH4+].[NH4+]>O>CC(=O)Nc1cccc2c(O)c(S(N)(=O)=O)ccc12
CC(=O)Nc1cccc2c(OC(C)=O)c(S(=O)(=O)Cl)ccc12.Cl.ClC(Cl)Cl.O=C([O-])[O-].[NH4+].[NH4+]>O>CC(=O)Nc1cccc2c(O)c(S(N)(=O)=O)ccc12
US03932380
1,976
CC(=O)Nc1cccc2c(OC(C)=O)c(S(=O)(=O)[O-])ccc12.O=P(Cl)(Cl)Cl.[Na+]>CN(C)C=O>CC(=O)Nc1cccc2c(OC(C)=O)c(S(=O)(=O)Cl)ccc12
CC(=O)Nc1cccc2c(OC(C)=O)c(S(=O)(=O)[O-])ccc12.O=P(Cl)(Cl)Cl.[Na+]>CN(C)C=O>CC(=O)Nc1cccc2c(OC(C)=O)c(S(=O)(=O)Cl)ccc12
US03932381
1,976
Cc1ccc(S(=O)(=O)Cl)cc1.Nc1cccc2c(O)cccc12>N1C=CC=CC=1>Cc1ccc(S(=O)(=O)Nc2cccc3c(O)cccc23)cc1
Cc1ccc(S(=O)(=O)Cl)cc1.Nc1cccc2c(O)cccc12>N1C=CC=CC=1>Cc1ccc(S(=O)(=O)Nc2cccc3c(O)cccc23)cc1
US03932387
1,976
COC(=O)C1N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2S(=O)C1(C)C.O=S(Cl)Cl>C(Cl)(Cl)(Cl)Cl>COC(=O)C1N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2SC[C@@]1(C)O
COC(=O)C1N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2S(=O)C1(C)C.O=S(Cl)Cl>C(Cl)(Cl)(Cl)Cl>COC(=O)C1N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2SC[C@@]1(C)O
US03932387
1,976
CC(=O)N(C)C.COc1ccc(COC(=O)C2N3C(=O)C(N4C(=O)c5ccccc5C4=O)[C@H]3S(=O)C2(C)C)cc1.O=S(=O)(O)O>C(OCC)(=O)C>COc1ccc(COC(=O)C2N3C(=O)C(N4C(=O)c5ccccc5C4=O)[C@H]3SC[C@@]2(C)O)cc1
CC(=O)N(C)C.COc1ccc(COC(=O)C2N3C(=O)C(N4C(=O)c5ccccc5C4=O)[C@H]3S(=O)C2(C)C)cc1.O=S(=O)(O)O>C(OCC)(=O)C>COc1ccc(COC(=O)C2N3C(=O)C(N4C(=O)c5ccccc5C4=O)[C@H]3SC[C@@]2(C)O)cc1
US03932384
1,976
CCOC(C)=O.COc1ccc2c(c1OC)CN(C)CCc1cc(OCc3ccccc3)ccc1CC2>N1C=CC=CC=1.[O-2].[O-2].[O-2].[Cr+6]>COc1ccc2c(c1OC)CN(C=O)CCc1cc(OCc3ccccc3)ccc1CC2
CCOC(C)=O.COc1ccc2c(c1OC)CN(C)CCc1cc(OCc3ccccc3)ccc1CC2>N1C=CC=CC=1.[O-2].[O-2].[O-2].[Cr+6]>COc1ccc2c(c1OC)CN(C=O)CCc1cc(OCc3ccccc3)ccc1CC2
US03932384
1,976
C=O.COc1ccc2c(c1OC)CNCCc1cc(O)ccc1CC2>C(O)C.[H][H].[Pt]=O>COc1ccc2c(c1OC)CN(C)CCc1cc(O)ccc1CC2
C=O.COc1ccc2c(c1OC)CNCCc1cc(O)ccc1CC2>C(O)C.[H][H].[Pt]=O>COc1ccc2c(c1OC)CN(C)CCc1cc(O)ccc1CC2
US03932384
1,976
C=CCBr.COc1ccc2c(c1OC)CNCCc1cc(O)ccc1CC2.O=C([O-])O.[Na+]>O>C=CCN1CCc2cc(O)ccc2CCc2ccc(OC)c(OC)c2C1
C=CCBr.COc1ccc2c(c1OC)CNCCc1cc(O)ccc1CC2.O=C([O-])O.[Na+]>O>C=CCN1CCc2cc(O)ccc2CCc2ccc(OC)c(OC)c2C1
US03932391
1,976
CCN(CC)CC.CSCC[C@H](N)C(=O)O.C[Si](C)(C)Cl.C[Si](C)(C)N[Si](C)(C)C>CCCCCC>CSCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C
CCN(CC)CC.CSCC[C@H](N)C(=O)O.C[Si](C)(C)Cl.C[Si](C)(C)N[Si](C)(C)C>CCCCCC>CSCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C
US03932392
1,976
C1CCC(NC2CCCCC2)CC1.CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCC[C@@H](N)C(=O)O)[C@H]2SC1.Cl>O>C1CCC(NC2CCCCC2)CC1
C1CCC(NC2CCCCC2)CC1.CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCC[C@@H](N)C(=O)O)[C@H]2SC1.Cl>O>C1CCC(NC2CCCCC2)CC1
US03932392
1,976
C1CCC(NC2CCCCC2)CC1.CC(C)NC(C)C.CC1=C(C(=O)O)N2C(=O)C(NC(=O)COc3ccccc3)[C@H]2SC1.C[Si](C)(Cl)Cl.ClP(Cl)(Cl)(Cl)Cl>C(Cl)Cl>CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1
C1CCC(NC2CCCCC2)CC1.CC(C)NC(C)C.CC1=C(C(=O)O)N2C(=O)C(NC(=O)COc3ccccc3)[C@H]2SC1.C[Si](C)(Cl)Cl.ClP(Cl)(Cl)(Cl)Cl>C(Cl)Cl>CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1
US03932396
1,976
CO.COC(C)=S.C[O-].N#CCCl.[Na+]>>COC(=O)CSCC#N
CO.COC(C)=S.C[O-].N#CCCl.[Na+]>>COC(=O)CSCC#N
US03932389
1,976
C1CCOC1.CC(=O)O.COP(C)(=O)OC.O=[PH]([O-])[O-].[Li]CCCC>CCCCCC>COP(=O)(CC(=O)Cc1ccccc1)OC
C1CCOC1.CC(=O)O.COP(C)(=O)OC.O=[PH]([O-])[O-].[Li]CCCC>CCCCCC>COP(=O)(CC(=O)Cc1ccccc1)OC
US03932397
1,976
CO.COC(C)=S.C[O-].N#CCCl.[Na+]>>COC(=O)CSCC#N
CO.COC(C)=S.C[O-].N#CCCl.[Na+]>>COC(=O)CSCC#N
US03932398
1,976
ClCCCl.c1ccncc1>>ClCC[n+]1ccccc1.[Cl-]
ClCCCl.c1ccncc1>>ClCC[n+]1ccccc1.[Cl-]
US03932398
1,976
BrCCBr.c1ccc2ncccc2c1>>BrCC[n+]1cccc2ccccc21.[Br-]
BrCCBr.c1ccc2ncccc2c1>>BrCC[n+]1cccc2ccccc21.[Br-]
US03932398
1,976
CC1(Cl)CSC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)OCc1ccc([N+](=O)[O-])cc1.CN(C)c1ccccc1.CO.ClP(Cl)(Cl)(Cl)Cl>ClCCl>CC1(Cl)CSC2C(N)C(=O)N2C1C(=O)OCc1ccc([N+](=O)[O-])cc1
CC1(Cl)CSC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)OCc1ccc([N+](=O)[O-])cc1.CN(C)c1ccccc1.CO.ClP(Cl)(Cl)(Cl)Cl>ClCCl>CC1(Cl)CSC2C(N)C(=O)N2C1C(=O)OCc1ccc([N+](=O)[O-])cc1
US03932385
1,976
CON=C(C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1cccn1C.CON=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccccc1Cl.OCCNCCO.[K].[Na]>>CON=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1cccc2ccccc12
CON=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1cccn1C.CON=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccccc1Cl.OCCNCCO.[K].[Na]>>CON=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1cccc2ccccc12
US03932385
1,976
C=COCC.COC(=O)C(=NO)c1cccs1>C(OCC)(=O)C.P(Cl)(Cl)(Cl)=O>CCOCCON=C(C(=O)OC)c1cccs1
C=COCC.COC(=O)C(=NO)c1cccs1>C(OCC)(=O)C.P(Cl)(Cl)(Cl)=O>CCOCCON=C(C(=O)OC)c1cccs1
US03932385
1,976
ClCc1cccs1.O.O=C([O-])[O-].O=C1c2ccccc2C(=O)N1O.[K+].[K+]>CS(C)=O>O=C1c2ccccc2C(=O)N1OCc1cccs1
ClCc1cccs1.O.O=C([O-])[O-].O=C1c2ccccc2C(=O)N1O.[K+].[K+]>CS(C)=O>O=C1c2ccccc2C(=O)N1OCc1cccs1
US03932385
1,976
ClCc1ccco1.O=C([O-])[O-].O=C1c2ccccc2C(=O)N1O.OCc1ccco1.[K+].[K+]>O.CS(C)=O>O=C1c2ccccc2C(=O)N1OCc1ccco1
ClCc1ccco1.O=C([O-])[O-].O=C1c2ccccc2C(=O)N1O.OCc1ccco1.[K+].[K+]>O.CS(C)=O>O=C1c2ccccc2C(=O)N1OCc1ccco1
US03932385
1,976
BrC1CCCC1.CCN(CC)CC.CN(C)C=O.O=C1c2ccccc2C(=O)N1O>O>O=C1c2ccccc2C(=O)N1OC1CCCC1
BrC1CCCC1.CCN(CC)CC.CN(C)C=O.O=C1c2ccccc2C(=O)N1O>O>O=C1c2ccccc2C(=O)N1OC1CCCC1
US03932399
1,976
CC(=O)O.Clc1ccc2c(c1)C(c1ccccc1)=NCC=N2.Clc1ccc2c(c1)C(c1ccccc1)=NCCN2.OCCS>C1COCC1>OCCSC1CN=C(c2ccccc2)c2cc(Cl)ccc2N1
CC(=O)O.Clc1ccc2c(c1)C(c1ccccc1)=NCC=N2.Clc1ccc2c(c1)C(c1ccccc1)=NCCN2.OCCS>C1COCC1>OCCSC1CN=C(c2ccccc2)c2cc(Cl)ccc2N1
US03932399
1,976
Clc1ccc2c(c1)C1(c3ccccc3)NCC(N2)S1.OCCS>C1COCC1>OCCSC1CN=C(c2ccccc2)c2cc(Cl)ccc2N1
Clc1ccc2c(c1)C1(c3ccccc3)NCC(N2)S1.OCCS>C1COCC1>OCCSC1CN=C(c2ccccc2)c2cc(Cl)ccc2N1
US03932399
1,976
Clc1ccc2c(c1)C1(c3ccccc3)NCC(N2)S1.O=C(O)CS>C1COCC1>O=C1CSC2CN=C(c3ccccc3)c3cc(Cl)ccc3N12
Clc1ccc2c(c1)C1(c3ccccc3)NCC(N2)S1.O=C(O)CS>C1COCC1>O=C1CSC2CN=C(c3ccccc3)c3cc(Cl)ccc3N12
US03932394
1,976
CC(=O)O[C@H]1[C@]2(O)C[C@]34SSSS[C@](CO)(C(=O)N3[C@@H]2C[C@@]12OC(C)C(C)(C)C2=O)N(C)C4=O.O.O=S(Cl)Cl>N1C=CC=CC=1>CC(=O)OC1C2(CC3N4C(=O)C5(CO)SSC4(CC31O)C(=O)N5C)OC(C)C(C)(C)C2=O
CC(=O)O[C@H]1[C@]2(O)C[C@]34SSSS[C@](CO)(C(=O)N3[C@@H]2C[C@@]12OC(C)C(C)(C)C2=O)N(C)C4=O.O.O=S(Cl)Cl>N1C=CC=CC=1>CC(=O)OC1C2(CC3N4C(=O)C5(CO)SSC4(CC31O)C(=O)N5C)OC(C)C(C)(C)C2=O
US03932394
1,976
CC(=O)O[C@H]1[C@]2(O)C[C@]34SSS[C@](CO)(C(=O)N3[C@@H]2C[C@@]12OC(C)C(C)(C)C2=O)N(C)C4=O.O.O=S(Cl)Cl>N1C=CC=CC=1>CC(=O)OC1C2(CC3N4C(=O)C5(CO)SSC4(CC31O)C(=O)N5C)OC(C)C(C)(C)C2=O
CC(=O)O[C@H]1[C@]2(O)C[C@]34SSS[C@](CO)(C(=O)N3[C@@H]2C[C@@]12OC(C)C(C)(C)C2=O)N(C)C4=O.O.O=S(Cl)Cl>N1C=CC=CC=1>CC(=O)OC1C2(CC3N4C(=O)C5(CO)SSC4(CC31O)C(=O)N5C)OC(C)C(C)(C)C2=O
US03932402
1,976
N#Cc1ccccc1.O=S(=O)(O)C(F)(F)F>C(O)C>c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
N#Cc1ccccc1.O=S(=O)(O)C(F)(F)F>C(O)C>c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
US03932402
1,976
N#Cc1ccccc1.O=S(=O)(O)Cl>>c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
N#Cc1ccccc1.O=S(=O)(O)Cl>>c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
US03932404
1,976
BrBr.CCOC(=O)C(C#N)=NC=C(c1ccccc1)N1CCOCC1.ClCCl.N>C(O)C>CCOC(=O)C(C#N)=NC=Cc1ccccc1
BrBr.CCOC(=O)C(C#N)=NC=C(c1ccccc1)N1CCOCC1.ClCCl.N>C(O)C>CCOC(=O)C(C#N)=NC=Cc1ccccc1
US03932404
1,976
CCOC(=O)C(C#N)=NC=C(c1ccccc1)N1CCOCC1.COC(=O)C(C#N)=NC(C)=C(c1ccccc1)N1CCOCC1>>COC(=O)C(C#N)=NC(C)=C(N)c1ccccc1
CCOC(=O)C(C#N)=NC=C(c1ccccc1)N1CCOCC1.COC(=O)C(C#N)=NC(C)=C(c1ccccc1)N1CCOCC1>>COC(=O)C(C#N)=NC(C)=C(N)c1ccccc1
US03932404
1,976
CCOC(=O)C(C#N)=NC=C(c1ccccc1)N1CCOCC1.COC(C#N)=NC=C(C1C=CC=CC1=C=O)N1CCOCC1>>COC(=O)C(C#N)=NC=C(N)c1ccccc1
CCOC(=O)C(C#N)=NC=C(c1ccccc1)N1CCOCC1.COC(C#N)=NC=C(C1C=CC=CC1=C=O)N1CCOCC1>>COC(=O)C(C#N)=NC=C(N)c1ccccc1
US03932404
1,976
BrBr.COC(=O)C(C#N)=NC(C)=C(N)c1ccccc1.C[O-].ClCCl.[Na+]>CO>COC(=O)c1nc(C)c(-c2ccccc2)nc1N
BrBr.COC(=O)C(C#N)=NC(C)=C(N)c1ccccc1.C[O-].ClCCl.[Na+]>CO>COC(=O)c1nc(C)c(-c2ccccc2)nc1N
US03932404
1,976
COC(=O)C(C#N)=NC(C)=C(N)c1ccccc1.COC(C#N)=NC=C(N)C1C=CC=CC1=C=O>>COC(=O)c1ncc(-c2ccccc2)nc1N
COC(=O)C(C#N)=NC(C)=C(N)c1ccccc1.COC(C#N)=NC=C(N)C1C=CC=CC1=C=O>>COC(=O)c1ncc(-c2ccccc2)nc1N
US03932404
1,976
BrBr.CC(N=C(C#N)C#N)=C(c1ccccc1)N1CCOCC1.N>C(Cl)Cl>Cc1nc(C#N)c(N)nc1-c1ccccc1
BrBr.CC(N=C(C#N)C#N)=C(c1ccccc1)N1CCOCC1.N>C(Cl)Cl>Cc1nc(C#N)c(N)nc1-c1ccccc1
US03932393
1,976
C=C1CS[C@@H]2CC(=O)N2C1C(=O)O.C=C1CS[C@@H]2CC(=O)N2C1C(=O)[O-].CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1.CC(=O)OCc1c2ccccc2c(COC(C)=O)c2ccccc12.CCC(=O)O.CCOC(=S)[S-]>[Ni]>C=C1CS[C@@H]2C(N)C(=O)N2C1C(=O)O
C=C1CS[C@@H]2CC(=O)N2C1C(=O)O.C=C1CS[C@@H]2CC(=O)N2C1C(=O)[O-].CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1.CC(=O)OCc1c2ccccc2c(COC(C)=O)c2ccccc12.CCC(=O)O.CCOC(=S)[S-]>[Ni]>C=C1CS[C@@H]2C(N)C(=O)N2C1C(=O)O
US03932412
1,976
Clc1nccc2cc3c(cc12)OCO3.NCCCCCO.O=C([O-])[O-].[Na+].[Na+]>CO>OCCCCCNc1nccc2cc3c(cc12)OCO3
Clc1nccc2cc3c(cc12)OCO3.NCCCCCO.O=C([O-])[O-].[Na+].[Na+]>CO>OCCCCCNc1nccc2cc3c(cc12)OCO3
US03932412
1,976
CC(=O)O.CC(=O)OC(C)=O.O=[N+]([O-])O.OCCCCCNc1nccc2cc3c(cc12)OCO3>>O=C(O)/C=C\C(=O)O.O=[N+]([O-])O.OCCCCCNc1nccc2cc3c(cc12)OCO3
CC(=O)O.CC(=O)OC(C)=O.O=[N+]([O-])O.OCCCCCNc1nccc2cc3c(cc12)OCO3>>O=C(O)/C=C\C(=O)O.O=[N+]([O-])O.OCCCCCNc1nccc2cc3c(cc12)OCO3
US03932407
1,976
CCN(CC)CC.CCNCC(=O)O.Cl.O=[N+]([O-])c1ccccc1CCl>C(O)C>O=C(O)CNCCCc1ccccc1[N+](=O)[O-]
CCN(CC)CC.CCNCC(=O)O.Cl.O=[N+]([O-])c1ccccc1CCl>C(O)C>O=C(O)CNCCCc1ccccc1[N+](=O)[O-]
US03932407
1,976
O=C(O)CNCCCc1ccccc1[N+](=O)[O-].[H][H]>[Pd].C(O)C>Nc1ccccc1CCCNCC(=O)O
O=C(O)CNCCCc1ccccc1[N+](=O)[O-].[H][H]>[Pd].C(O)C>Nc1ccccc1CCCNCC(=O)O
US03932407
1,976
C=CC(=O)OCC.CC(N)C(=O)O.Cl.Cl.NCc1ccccc1[N+](=O)[O-].[Na+].[OH-]>O.C(O)C>CCOC(=O)CCNCc1ccccc1[N+](=O)[O-]
C=CC(=O)OCC.CC(N)C(=O)O.Cl.Cl.NCc1ccccc1[N+](=O)[O-].[Na+].[OH-]>O.C(O)C>CCOC(=O)CCNCc1ccccc1[N+](=O)[O-]
US03932407
1,976
BrBr.CC(=O)O.O=C1CN2Cc3ccccc3N=C2N1>O>O=C1CN2Cc3cc(Br)ccc3N=C2N1
BrBr.CC(=O)O.O=C1CN2Cc3ccccc3N=C2N1>O>O=C1CN2Cc3cc(Br)ccc3N=C2N1
US03932407
1,976
Cl.Cl.O=C1CN2Cc3cc([N+](=O)[O-])ccc3N=C2N1.[H][H]>C(O)C.[Pd]>Nc1ccc2c(c1)CN1CC(=O)NC1=N2
Cl.Cl.O=C1CN2Cc3cc([N+](=O)[O-])ccc3N=C2N1.[H][H]>C(O)C.[Pd]>Nc1ccc2c(c1)CN1CC(=O)NC1=N2
US03932407
1,976
BrBr.O=C1CN2Cc3c(Cl)cccc3N=C2N1>[N+](C)([O-])=O>O=C1CN2Cc3c(ccc(Br)c3Cl)N=C2N1
BrBr.O=C1CN2Cc3c(Cl)cccc3N=C2N1>[N+](C)([O-])=O>O=C1CN2Cc3c(ccc(Br)c3Cl)N=C2N1
US03932407
1,976
Cc1cccc([N+](=O)[O-])c1C(=O)O>O1CCCC1>Cc1cccc([N+](=O)[O-])c1CO
Cc1cccc([N+](=O)[O-])c1C(=O)O>O1CCCC1>Cc1cccc([N+](=O)[O-])c1CO
US03932407
1,976
Cc1c(Br)cccc1[N+](=O)[O-].O=C1CCC(=O)N1Br>C(Cl)(Cl)(Cl)Cl.C(OOC(=O)C1C=CC=CC=1)(=O)C1C=CC=CC=1>O=[N+]([O-])c1cccc(Br)c1CBr
Cc1c(Br)cccc1[N+](=O)[O-].O=C1CCC(=O)N1Br>C(Cl)(Cl)(Cl)Cl.C(OOC(=O)C1C=CC=CC=1)(=O)C1C=CC=CC=1>O=[N+]([O-])c1cccc(Br)c1CBr
US03932407
1,976
Cl.Nc1cccc(C(F)(F)F)c1CO>>Nc1cccc(C(F)(F)F)c1CCl
Cl.Nc1cccc(C(F)(F)F)c1CO>>Nc1cccc(C(F)(F)F)c1CCl
US03932407
1,976
CCOC(=O)CN1C(Cl)=Nc2cccc(C)c2C1C.N>C(O)C>Cc1cccc2c1C(C)N1CC(=O)NC1=N2
CCOC(=O)CN1C(Cl)=Nc2cccc(C)c2C1C.N>C(O)C>Cc1cccc2c1C(C)N1CC(=O)NC1=N2
US03932407
1,976
CCOC(=O)CNCc1c(C)cccc1N.O=C(n1ccnc1)n1ccnc1>O1CCCC1>CCOC(=O)CN1Cc2c(C)cccc2NC1=O
CCOC(=O)CNCc1c(C)cccc1N.O=C(n1ccnc1)n1ccnc1>O1CCCC1>CCOC(=O)CN1Cc2c(C)cccc2NC1=O
US03932407
1,976
CCOC(=O)CN1Cc2c(C)cccc2NC1=O.O=P(Cl)(Cl)Cl>>CCOC(=O)CN1Cc2c(C)cccc2N=C1Cl.Cl
CCOC(=O)CN1Cc2c(C)cccc2NC1=O.O=P(Cl)(Cl)Cl>>CCOC(=O)CN1Cc2c(C)cccc2N=C1Cl.Cl
US03932410
1,976
Cc1nnc(N)s1.O=C(Cl)Cl>C(OCC)(=O)C>Cc1nnc(N=C=O)s1
Cc1nnc(N)s1.O=C(Cl)Cl>C(OCC)(=O)C>Cc1nnc(N=C=O)s1
US03932410
1,976
CNCCC=O.Cc1nnc(N=C=O)s1>C1C=CC=CC=1>Cc1nnc(NC(=O)N(C)CCC=O)s1
CNCCC=O.Cc1nnc(N=C=O)s1>C1C=CC=CC=1>Cc1nnc(NC(=O)N(C)CCC=O)s1
US03932410
1,976
Cc1nnc(NC(=O)N(C)CCC=O)s1.Cl>O>Cc1nnc(N2C(=O)N(C)CCC2O)s1
Cc1nnc(NC(=O)N(C)CCC=O)s1.Cl>O>Cc1nnc(N2C(=O)N(C)CCC2O)s1
US03932410
1,976
Cc1ccccc1S(=O)(=O)O.Cc1nnc(N2C(=O)N(C)CCC2O)s1>CO>COC1CCN(C)C(=O)N1c1nnc(C)s1
Cc1ccccc1S(=O)(=O)O.Cc1nnc(N2C(=O)N(C)CCC2O)s1>CO>COC1CCN(C)C(=O)N1c1nnc(C)s1
US03932410
1,976
COc1nnc(N)s1.O=C(Cl)Cl>C(OCC)(=O)C>COc1nnc(N=C=O)s1
COc1nnc(N)s1.O=C(Cl)Cl>C(OCC)(=O)C>COc1nnc(N=C=O)s1
US03932410
1,976
CCNCCC=O.COc1nnc(N=C=O)s1>C1C=CC=CC=1>CCN(CCC=O)C(=O)Nc1nnc(OC)s1
CCNCCC=O.COc1nnc(N=C=O)s1>C1C=CC=CC=1>CCN(CCC=O)C(=O)Nc1nnc(OC)s1
US03932410
1,976
CCN(CCC=O)C(=O)Nc1nnc(OC)s1.Cl>O>CCN1CCC(O)N(c2nnc(OC)s2)C1=O
CCN(CCC=O)C(=O)Nc1nnc(OC)s1.Cl>O>CCN1CCC(O)N(c2nnc(OC)s2)C1=O
US03932410
1,976
CCN1CCC(O)N(c2nnc(OC)s2)C1=O.Cc1ccccc1S(=O)(=O)O>C(O)C>CCOC1CCN(CC)C(=O)N1c1nnc(OC)s1
CCN1CCC(O)N(c2nnc(OC)s2)C1=O.Cc1ccccc1S(=O)(=O)O>C(O)C>CCOC1CCN(CC)C(=O)N1c1nnc(OC)s1
US03932410
1,976
CCCN(CCC=O)C(=O)Nc1nnc(SC)s1.Cl>O>CCCN1CCC(O)N(c2nnc(SC)s2)C1=O
CCCN(CCC=O)C(=O)Nc1nnc(SC)s1.Cl>O>CCCN1CCC(O)N(c2nnc(SC)s2)C1=O
US03932410
1,976
CCCN1CCC(O)N(c2nnc(SC)s2)C1=O.Cc1ccccc1S(=O)(=O)O>C(O)CC>CCCOC1CCN(CCC)C(=O)N1c1nnc(SC)s1
CCCN1CCC(O)N(c2nnc(SC)s2)C1=O.Cc1ccccc1S(=O)(=O)O>C(O)CC>CCCOC1CCN(CCC)C(=O)N1c1nnc(SC)s1
US03932410
1,976
CS(=O)(=O)c1nnc(N)s1.O=C(Cl)Cl>C(OCC)(=O)C>CS(=O)(=O)c1nnc(N=C=O)s1
CS(=O)(=O)c1nnc(N)s1.O=C(Cl)Cl>C(OCC)(=O)C>CS(=O)(=O)c1nnc(N=C=O)s1
US03932410
1,976
C=CCNCCC=O.CS(=O)(=O)c1nnc(N=C=O)s1>C1C=CC=CC=1>C=CCN(CCC=O)C(=O)Nc1nnc(S(C)(=O)=O)s1
C=CCNCCC=O.CS(=O)(=O)c1nnc(N=C=O)s1>C1C=CC=CC=1>C=CCN(CCC=O)C(=O)Nc1nnc(S(C)(=O)=O)s1
US03932410
1,976
C=CCN1CCC(O)N(c2nnc(S(C)(=O)=O)s2)C1=O.Cc1ccccc1S(=O)(=O)O>C(O)CCC>C=CCN1CCC(OCCCC)N(c2nnc(S(C)(=O)=O)s2)C1=O
C=CCN1CCC(O)N(c2nnc(S(C)(=O)=O)s2)C1=O.Cc1ccccc1S(=O)(=O)O>C(O)CCC>C=CCN1CCC(OCCCC)N(c2nnc(S(C)(=O)=O)s2)C1=O
US03932410
1,976
CS(=O)c1nnc(N)s1.O=C(Cl)Cl>C(OCC)(=O)C>CS(=O)c1nnc(N=C=O)s1
CS(=O)c1nnc(N)s1.O=C(Cl)Cl>C(OCC)(=O)C>CS(=O)c1nnc(N=C=O)s1
US03932410
1,976
C#CCNCCC=O.CS(=O)c1nnc(N=C=O)s1>C1C=CC=CC=1>C#CCN(CCC=O)C(=O)Nc1nnc(S(C)=O)s1
C#CCNCCC=O.CS(=O)c1nnc(N=C=O)s1>C1C=CC=CC=1>C#CCN(CCC=O)C(=O)Nc1nnc(S(C)=O)s1
US03932410
1,976
C#CCN(CCC=O)C(=O)Nc1nnc(S(C)=O)s1.Cl>O>C#CCN1CCC(O)N(c2nnc(S(C)=O)s2)C1=O
C#CCN(CCC=O)C(=O)Nc1nnc(S(C)=O)s1.Cl>O>C#CCN1CCC(O)N(c2nnc(S(C)=O)s2)C1=O
US03932410
1,976
C#CCN1CCC(O)N(c2nnc(S(C)=O)s2)C1=O.Cc1ccccc1S(=O)(=O)O>C(O)CCCCC>C#CCN1CCC(OCCCCCC)N(c2nnc(S(C)=O)s2)C1=O
C#CCN1CCC(O)N(c2nnc(S(C)=O)s2)C1=O.Cc1ccccc1S(=O)(=O)O>C(O)CCCCC>C#CCN1CCC(OCCCCCC)N(c2nnc(S(C)=O)s2)C1=O
US03932410
1,976
Nc1nnc(C(F)(F)F)s1.O=C(Cl)Cl>C(OCC)(=O)C>O=C=Nc1nnc(C(F)(F)F)s1.O=C=Nc1nnc(C(F)(F)F)s1
Nc1nnc(C(F)(F)F)s1.O=C(Cl)Cl>C(OCC)(=O)C>O=C=Nc1nnc(C(F)(F)F)s1.O=C=Nc1nnc(C(F)(F)F)s1
US03932410
1,976
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