3,4-Dimethylphenylboronic acid → 1,2-Difluoro-4-(3,4-dimethylphenyl)-5-[4-(methylsulfonyl)phenyl]benzene

반응식

[Br:1][c:2]1[c:3](-[c:10]2[cH:11][cH:12][c:13]([S:16](=[O:17])(=[O:18])[CH3:19])[cH:14][cH:15]2)[cH:4][c:5]([F:9])[c:6]([F:8])[cH:7]1.[CH3:20][c:21]1[cH:22][c:23]([B:28]([OH:29])[OH:30])[cH:24][cH:25][c:26]1[CH3:27]>>[c:2]1(-[c:23]2[cH:22][c:21]([CH3:20])[c:26]([CH3:27])[cH:25][cH:24]2)[c:3](-[c:10]2[cH:11][cH:12][c:13]([S:16](=[O:17])(=[O:18])[CH3:19])[cH:14][cH:15]2)[cH:4][c:5]([F:9])[c:6]([F:8])[cH:7]1

참가 물질

반응물 2

HCID 27343483,4-Dimethylphenylboronic acid

HCID 117919231-Bromo-4,5-difluoro-2-[4-(methylsulfonyl)phenyl]benzene

생성물 1

HCID 105954531,2-Difluoro-4-(3,4-dimethylphenyl)-5-[4-(methylsulfonyl)phenyl]benzene

출처 및 근거

ORD 기록: ord-7ea67424ee8745f8b5f4640d95ba347f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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