4-(tert-Butylaminosulphonyl)benzeneboronic acid → N-tert-butyl-4-{1-[6-(3-methyl-4-trifluoromethylphenyl)-4-trifluoromethyl-pyrimidin-2-yl]-1H-imidazol-4-yl}-benzenesulfonamide

반응식

[C:28]([CH3:29])([CH3:30])([CH3:31])[NH:32][S:33](=[O:34])(=[O:35])[c:36]1[cH:37][cH:38][c:39]([B:42]([OH:43])[OH:44])[cH:40][cH:41]1.[I:1][c:2]1[n:3][cH:4][n:5](-[c:7]2[n:8][c:9](-[c:17]3[cH:18][c:19]([CH3:27])[c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[n:12]2)[cH:6]1>>[c:2]1(-[c:39]2[cH:38][cH:37][c:36]([S:33]([NH:32][C:28]([CH3:29])([CH3:30])[CH3:31])(=[O:34])=[O:35])[cH:41][cH:40]2)[n:3][cH:4][n:5](-[c:7]2[n:8][c:9](-[c:17]3[cH:18][c:19]([CH3:27])[c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[n:12]2)[cH:6]1

참가 물질

반응물 2

HCID 221071704-(tert-Butylaminosulphonyl)benzeneboronic acid

HCID 574687872-(4-Iodo-imidazol-1-yl)-4-(3-methyl-4-trifluoromethyl-phenyl)-6-trifluoromethyl-pyrimidine

생성물 1

HCID 57468981N-tert-butyl-4-{1-[6-(3-methyl-4-trifluoromethylphenyl)-4-trifluoromethyl-pyrimidin-2-yl]-1H-imidazol-4-yl}-benzenesulfonamide

출처 및 근거

ORD 기록: ord-be3ac0e657d24af1aecdda935afe180e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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