Boron tribromide → 4-(4-Chloro-2-hydroxyphenyl)-1-(2-(hydroxymethyl)quinolin-5-ylamino)-4-methyl-2-(trifluoromethyl)pentan-2-ol

반응식

[B:34]([Br:35])([Br:36])[Br:37].[Cl:1][c:2]1[cH:3][c:4]([O:32][CH3:33])[c:5]([C:8]([CH2:9][C:10]([CH2:11][NH:12][c:13]2[c:14]3[cH:15][cH:16][c:17]([CH2:23][OH:24])[n:18][c:19]3[cH:20][cH:21][cH:22]2)([OH:25])[C:26]([F:27])([F:28])[F:29])([CH3:30])[CH3:31])[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][c:4]([OH:32])[c:5]([C:8]([CH2:9][C:10]([CH2:11][NH:12][c:13]2[c:14]3[cH:15][cH:16][c:17]([CH2:23][OH:24])[n:18][c:19]3[cH:20][cH:21][cH:22]2)([OH:25])[C:26]([F:27])([F:28])[F:29])([CH3:30])[CH3:31])[cH:6][cH:7]1

참가 물질

반응물 2

HCID 25134Boron tribromide

HCID 219488084-(4-Chloro-2-methoxyphenyl)-1-(2-(hydroxymethyl)quinolin-5-ylamino)-4-methyl-2-(trifluoromethyl)pentan-2-ol

생성물 1

HCID 219489084-(4-Chloro-2-hydroxyphenyl)-1-(2-(hydroxymethyl)quinolin-5-ylamino)-4-methyl-2-(trifluoromethyl)pentan-2-ol

출처 및 근거

ORD 기록: ord-4be0100e525b412db1265f6bb7fd83f7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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