Boron tribromide → 3-[1-(5-Fluoro-2-hydroxyphenyl)cycloprop-1-yl]-1-(2-(hydroxymethyl)quinolin-5-ylamino)-2-(trifluoromethyl)propan-2-ol

반응식

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

참가 물질

반응물 2

HCID 25134Boron tribromide

HCID 219488603-[1-(5-Fluoro-2-methoxyphenyl)cycloprop-1-yl]-1-(2-(hydroxymethyl)quinolin-5-ylamino)-2-(trifluoromethyl)propan-2-ol

생성물 1

HCID 219488503-[1-(5-Fluoro-2-hydroxyphenyl)cycloprop-1-yl]-1-(2-(hydroxymethyl)quinolin-5-ylamino)-2-(trifluoromethyl)propan-2-ol

출처 및 근거

ORD 기록: ord-59680289827742d48589936740741e15
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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