Acetic Acid → 3-Amino-N-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxy-phenyl]-benzenesulfonamide

반응식

[CH3:33][C:34](=[O:35])[OH:36].[F:1][c:2]1[cH:3][c:4]2[cH:5][c:6](-[c:12]3[cH:13][cH:14][c:15]([O:31][CH3:32])[c:16]([NH:18][S:19](=[O:20])(=[O:21])[c:22]4[cH:23][c:24]([N+:28]([O-:29])=[O:30])[cH:25][cH:26][cH:27]4)[cH:17]3)[nH:7][c:8]2[cH:9][c:10]1[F:11].[Zn:37]>>[F:1][c:2]1[cH:3][c:4]2[cH:5][c:6](-[c:12]3[cH:13][cH:14][c:15]([O:31][CH3:32])[c:16]([NH:18][S:19](=[O:20])(=[O:21])[c:22]4[cH:23][c:24]([NH2:28])[cH:25][cH:26][cH:27]4)[cH:17]3)[nH:7][c:8]2[cH:9][c:10]1[F:11]

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 23994Zinc

HCID 10298171N-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxy-phenyl]-3-nitro-benzenesulfonamide

생성물 1

HCID 102766743-Amino-N-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxy-phenyl]-benzenesulfonamide

출처 및 근거

ORD 기록: ord-0627b4c385894d62b11010e245e7f874
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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