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

반응식

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

참가 물질

반응물 3

HCID 7961Bromobenzene

HCID 61668Boronic Acid

HCID 574686702-Chloro-4-(4-chloro-3-methyl-phenyl)-6-methyl-pyrimidine

생성물 1

HCID 574687912-(3-Bromo-phenyl)-4-(4-chloro-3-methylphenyl)-6-methyl-pyrimidine

출처 및 근거

ORD 기록: ord-dc61c69497524fa99ce48be525e3c6b7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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