(Pyrimidin-5-yl)boronic acid → 4-Fluoro-1-(4-methoxy-3,5-dimethylphenyl)-1-(2-(pyrimidin-5-yl)pyridin-4-yl)-1H-isoindol-3-amine

반응식

[Br:1][c:2]1[n:3][cH:4][cH:5][c:6]([C:8]2([c:19]3[cH:20][c:21]([CH3:28])[c:22]([O:26][CH3:27])[c:23]([CH3:25])[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:29]1[cH:30][n:31][cH:32][c:33]([B:35]([OH:36])[OH:37])[cH:34]1>>[c:2]1(-[c:33]2[cH:32][n:31][cH:30][n:29][cH:34]2)[n:3][cH:4][cH:5][c:6]([C:8]2([c:19]3[cH:20][c:21]([CH3:28])[c:22]([O:26][CH3:27])[c:23]([CH3:25])[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 585795351-(2-Bromopyridin-4-yl)-4-fluoro-1-(4-methoxy-3,5-dimethylphenyl)-1H-isoindol-3-amine

생성물 1

HCID 461916454-Fluoro-1-(4-methoxy-3,5-dimethylphenyl)-1-(2-(pyrimidin-5-yl)pyridin-4-yl)-1H-isoindol-3-amine

출처 및 근거

ORD 기록: ord-c5bc1a567e68426ea85e13194732afa4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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