Dimethyl Sulfide → 2-(4-fluorophenyl)-5-hydroxy-N-methylbenzo[b]thiophene-3-carboxamide

반응식

[B:26]([Br:27])([Br:28])[Br:29].[CH3:23][S:24][CH3:25].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:19](=[O:20])[NH:21][CH3:22])[c:10]3[c:11]([s:12]2)[cH:13][cH:14][c:15]([O:17][CH3:18])[cH:16]3)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:19](=[O:20])[NH:21][CH3:22])[c:10]3[c:11]([s:12]2)[cH:13][cH:14][c:15]([OH:17])[cH:16]3)[cH:6][cH:7]1

참가 물질

반응물 3

HCID 1068Dimethyl Sulfide

HCID 25134Boron tribromide

HCID 592337112-(4-fluorophenyl)-5-methoxy-N-methylbenzo[b]thiophene-3-carboxamide

생성물 1

HCID 592336552-(4-fluorophenyl)-5-hydroxy-N-methylbenzo[b]thiophene-3-carboxamide

출처 및 근거

ORD 기록: ord-d2ea636b663d485eb7d6bfaa49434d4a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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