2-Aminopyrimidine-5-boronic acid, pinacol ester → 5-[6-Methyl-4-(4-trifluoromethyl-phenyl)-[2,4']bipyridinyl-2'-yl]-pyrimidin-2-ylamine

반응식

[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10]([CH3:24])[cH:11][c:12](-[c:14]3[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[cH:13]2)[cH:7]1.[NH2:25][c:26]1[n:27][cH:28][c:29]([B:32]2[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]2)[cH:30][n:31]1>>[c:2]1(-[c:29]2[cH:28][n:27][c:26]([NH2:25])[n:31][cH:30]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10]([CH3:24])[cH:11][c:12](-[c:14]3[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[cH:13]2)[cH:7]1

참가 물질

반응물 2

HCID 177502122-Aminopyrimidine-5-boronic acid, pinacol ester

HCID 866154422'-Chloro-6-methyl-4-(4-trifluoromethylphenyl)-[2,4']bipyridinyl

생성물 1

HCID 247603595-[6-Methyl-4-(4-trifluoromethyl-phenyl)-[2,4']bipyridinyl-2'-yl]-pyrimidin-2-ylamine

출처 및 근거

ORD 기록: ord-7dba635b612c4b4d94999682d8d5c4b6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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