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

반응식

[C:27]([CH3:28])([CH3:29])([CH3:30])[NH:31][S:32](=[O:33])(=[O:34])[c:35]1[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1.[I:1][c:2]1[n:3][cH:4][n:5](-[c:7]2[n:8][c:9](-[c:17]3[cH:18][cH:19][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:38]2[cH:37][cH:36][c:35]([S:32]([NH:31][C:27]([CH3:28])([CH3:29])[CH3:30])(=[O:33])=[O:34])[cH:40][cH:39]2)[n:3][cH:4][n:5](-[c:7]2[n:8][c:9](-[c:17]3[cH:18][cH:19][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 574687822-(4-Iodo-imidazol-1-yl)-4-trifluoromethyl-6-(4-trifluoromethylphenyl)-pyrimidine

생성물 1

HCID 57468886N-tert-Butyl-4-{1-[4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-2-yl]-1H-imidazol-4-yl}-benzenesulfonamide

출처 및 근거

ORD 기록: ord-8d851c7c76eb4b4cab11b2316aa154fa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…