(Pyrimidin-5-yl)boronic acid → 5-(3-Amino-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-1-yl)-2-methoxy-3-methylbenzonitrile

반응식

[NH2:1][C:2]1=[N:3][C:4]([c:12]2[cH:13][c:14]([Br:18])[cH:15][cH:16][cH:17]2)([c:19]2[cH:20][c:21]([CH3:29])[c:22]([O:27][CH3:28])[c:23]([C:24]#[N:25])[cH:26]2)[c:5]2[cH:6][cH:7][cH:8][c:9]([F:11])[c:10]21.[n:30]1[cH:31][n:32][cH:33][c:34]([B:36]([OH:37])[OH:38])[cH:35]1>>[NH2:1][C:2]1=[N:3][C:4]([c:12]2[cH:13][c:14](-[c:34]3[cH:33][n:32][cH:31][n:30][cH:35]3)[cH:15][cH:16][cH:17]2)([c:19]2[cH:20][c:21]([CH3:29])[c:22]([O:27][CH3:28])[c:23]([C:24]#[N:25])[cH:26]2)[c:5]2[cH:6][cH:7][cH:8][c:9]([F:11])[c:10]21

참가 물질

반응물 2

HCID 2795193(Pyrimidin-5-yl)boronic acid

HCID 585794945-(3-Amino-1-(3-bromophenyl)-4-fluoro-1H-isoindol-1-yl)-2-methoxy-3-methylbenzonitrile

생성물 1

HCID 462033915-(3-Amino-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-1-yl)-2-methoxy-3-methylbenzonitrile

출처 및 근거

ORD 기록: ord-74b24e16dc4a492288e52b69d098bba9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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