(2-Aminophenyl)boronic acid → 4-[5-(2-aminophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine

반응식

[NH2:26][c:27]1[c:28]([B:33]([OH:34])[OH:35])[cH:29][cH:30][cH:31][cH:32]1.[c:1]1([CH:7]([CH3:8])[NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[n:16]3[cH:17][n:18][c:19]4[c:20]3[cH:21][cH:22][c:23]([I:25])[cH:24]4)[n:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH3:8])[NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[n:16]3[cH:17][n:18][c:19]4[c:20]3[cH:21][cH:22][c:23](-[c:28]3[c:27]([NH2:26])[cH:32][cH:31][cH:30][cH:29]3)[cH:24]4)[n:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 2

HCID 2773216(2-Aminophenyl)boronic acid

HCID 183756014-(5-iodobenzimidazol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine

생성물 1

HCID 183756064-[5-(2-aminophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine

출처 및 근거

ORD 기록: ord-28948d7dfde14dc9b5cbdab89d6cc86e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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