(Pyrimidin-5-yl)boronic acid → 4-Fluoro-1-(2-fluoro-5-(pyrimidin-5-yl)phenyl)-1-(2-(trifluoromethyl)pyridin-4-yl)-1H-isoindol-3-amine

반응식

[Br:1][c:2]1[cH:3][cH:4][c:5]([F:29])[c:6]([C:8]2([c:19]3[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[n:22][cH:23][cH:24]3)[N:9]=[C:10]([NH2:18])[c:11]3[c:12]([F:17])[cH:13][cH:14][cH:15][c:16]32)[cH:7]1.[n:30]1[cH:31][n:32][cH:33][c:34]([B:36]([OH:37])[OH:38])[cH:35]1>>[c:2]1(-[c:34]2[cH:33][n:32][cH:31][n:30][cH:35]2)[cH:3][cH:4][c:5]([F:29])[c:6]([C:8]2([c:19]3[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[n:22][cH:23][cH:24]3)[N:9]=[C:10]([NH2:18])[c:11]3[c:12]([F:17])[cH:13][cH:14][cH:15][c:16]32)[cH:7]1

참가 물질

반응물 2

HCID 2795193(Pyrimidin-5-yl)boronic acid

HCID 585795381-(5-Bromo-2-fluorophenyl)-4-fluoro-1-(2-(trifluoromethyl)pyridin-4-yl)-1H-isoindol-3-amine

생성물 1

HCID 462059644-Fluoro-1-(2-fluoro-5-(pyrimidin-5-yl)phenyl)-1-(2-(trifluoromethyl)pyridin-4-yl)-1H-isoindol-3-amine

출처 및 근거

ORD 기록: ord-d057fcda42d04285ba263f11982aad5b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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