Bromide ion → 5-Bromo-6-hydroxy-3'-trifluoromethyl-biphenyl-3-carboxylic acid (8-phenyl-octyl)-amide

반응식

[Br-:45].[K+:46].[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH:15][C:16]([c:17]2[cH:18][c:19](-[c:34]3[cH:35][cH:36][cH:37][c:38]([C:39]([F:40])([F:41])[F:42])[cH:43]3)[c:20]([OH:33])[c:21](-[c:23]3[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]3)[cH:22]2)=[O:44])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH:15][C:16]([c:17]2[cH:18][c:19]([Br:45])[c:20]([OH:33])[c:21](-[c:23]3[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]3)[cH:22]2)=[O:44])[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 3

HCID 259Bromide ion

HCID 813Potassium Cation

HCID 22237600N-(8-phenyl-octyl)-3,5-bis(m-trifluoromethylphenyl)4hydroxy-benzamide

생성물 1

HCID 538999065-Bromo-6-hydroxy-3'-trifluoromethyl-biphenyl-3-carboxylic acid (8-phenyl-octyl)-amide

출처 및 근거

ORD 기록: ord-6d74f5012bb147c6b8a8763314ca40bc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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