Thionyl Chloride → 2-bromo-4,5,6,7-tetrahydro-N-(2-hydroxy-4-methylphenyl)-benzo[b]thiophene-3-carboxamide

반응식

[Br:1][c:2]1[c:3]([C:11](=[O:12])[OH:13])[c:4]2[c:5]([s:6]1)[CH2:7][CH2:8][CH2:9][CH2:10]2.[NH2:14][c:15]1[c:16]([OH:22])[cH:17][c:18]([CH3:21])[cH:19][cH:20]1.[S:23]([Cl:24])([Cl:25])=[O:26]>>[Br:1][c:2]1[c:3]([C:11](=[O:13])[NH:14][c:15]2[c:16]([OH:22])[cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[c:4]2[c:5]([s:6]1)[CH2:7][CH2:8][CH2:9][CH2:10]2

참가 물질

반응물 3

HCID 24386Thionyl Chloride

HCID 760822-Amino-5-methylphenol

HCID 184221372-Bromo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid

생성물 1

HCID 184222082-bromo-4,5,6,7-tetrahydro-N-(2-hydroxy-4-methylphenyl)-benzo[b]thiophene-3-carboxamide

출처 및 근거

ORD 기록: ord-59ceb4bccd9e4bd9ac4a9415cc0f33dc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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