4-(tert-Butylaminosulphonyl)benzeneboronic acid → N-tert-Butyl-4-{1-[6-(3,4-dichloro-phenyl)-4-trifluoromethyl-pyrimidin-2-yl]-1H-imidazol-4-yl}-benzenesulfonamide

반응식

[C:25]([CH3:26])([CH3:27])([CH3:28])[NH:29][S:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1.[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][c:11](-[n:19]3[cH:20][n:21][c:22]([I:24])[cH:23]3)[n:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[cH:5][cH:6][c:7]1[Cl:8]>>[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][c:11](-[n:19]3[cH:20][n:21][c:22](-[c:36]4[cH:35][cH:34][c:33]([S:30]([NH:29][C:25]([CH3:26])([CH3:27])[CH3:28])(=[O:31])=[O:32])[cH:38][cH:37]4)[cH:23]3)[n:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[cH:5][cH:6][c:7]1[Cl:8]

참가 물질

반응물 2

HCID 221071704-(tert-Butylaminosulphonyl)benzeneboronic acid

HCID 574687884-(3,4-Dichloro-phenyl)-2-(4-iodo-imidazol-1-yl)-6-trifluoromethyl-pyrimidine

생성물 1

HCID 57468979N-tert-Butyl-4-{1-[6-(3,4-dichloro-phenyl)-4-trifluoromethyl-pyrimidin-2-yl]-1H-imidazol-4-yl}-benzenesulfonamide

출처 및 근거

ORD 기록: ord-7149e4b4ea364e07ad06f72dbc65f402
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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