Bromobenzene → 2-(3-Bromo-phenyl)-6-methyl-4-(4-trifluoromethyl-phenyl)-pyridine

반응식

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

참가 물질

반응물 3

HCID 7961Bromobenzene

HCID 61668Boronic Acid

HCID 57468647Trifluoro-methanesulfonic acid 6-methyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yl ester

생성물 1

HCID 574687452-(3-Bromo-phenyl)-6-methyl-4-(4-trifluoromethyl-phenyl)-pyridine

출처 및 근거

ORD 기록: ord-15802313e73b4e598489e4663363006e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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