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

반응식

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

참가 물질

반응물 3

HCID 7961Bromobenzene

HCID 61668Boronic Acid

HCID 574686572-Chloro-4-(3-methyl-4-trifluoromethyl-phenyl)-6-methyl-pyrimidine

생성물 1

HCID 574687702-(3-Bromo-phenyl)-4-methyl-6-(3-methyl-4-trifluoromethyl-phenyl)-pyrimidine

출처 및 근거

ORD 기록: ord-e4658f90ca2446f49bcb60be6df3cd5b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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