3-(Neopentyloxysulfonyl)phenylboronic acid → 3'-[4-Trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-2-yl]-biphenyl-3-sulfonic acid 2,2-dimethyl-propyl ester

반응식

[Br:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10](-[c:18]3[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]3)[cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[n:13]2)[cH:5][cH:6][cH:7]1.[CH3:28][C:29]([CH2:30][O:31][S:32](=[O:33])(=[O:34])[c:35]1[cH:36][c:37]([B:41]([OH:42])[OH:43])[cH:38][cH:39][cH:40]1)([CH3:44])[CH3:45]>>[c:2]1(-[c:37]2[cH:36][c:35]([S:32]([O:31][CH2:30][C:29]([CH3:28])([CH3:44])[CH3:45])(=[O:33])=[O:34])[cH:40][cH:39][cH:38]2)[cH:3][c:4](-[c:8]2[n:9][c:10](-[c:18]3[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]3)[cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[n:13]2)[cH:5][cH:6][cH:7]1

참가 물질

반응물 2

HCID 467389673-(Neopentyloxysulfonyl)phenylboronic acid

HCID 574687272-(3-Bromo-phenyl)-4-trifluoromethyl-6-(4-trifluoromethylphenyl)-pyrimidine

생성물 1

HCID 574688443'-[4-Trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-2-yl]-biphenyl-3-sulfonic acid 2,2-dimethyl-propyl ester

출처 및 근거

ORD 기록: ord-de72600fa9f14e99b4483c703488b7ed
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…