5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine → 5-{1-[4-Trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-2-yl]-1H-pyrazol-4-yl}-pyridin-2-ylamine

반응식

[Br:1][c:2]1[cH:3][n:4][n:5](-[c:7]2[n:8][c:9](-[c:17]3[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[n:12]2)[cH:6]1.[NH2:27][c:28]1[n:29][cH:30][c:31]([B:34]2[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]2)[cH:32][cH:33]1>>[c:2]1(-[c:31]2[cH:30][n:29][c:28]([NH2:27])[cH:33][cH:32]2)[cH:3][n:4][n:5](-[c:7]2[n:8][c:9](-[c:17]3[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[n:12]2)[cH:6]1

참가 물질

반응물 2

HCID 27565555-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

HCID 574687352-(4-Bromo-pyrazol-1-yl)-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine

생성물 1

HCID 602093525-{1-[4-Trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidin-2-yl]-1H-pyrazol-4-yl}-pyridin-2-ylamine

출처 및 근거

ORD 기록: ord-6543e09f83e8415d9fb6b9f147c8c726
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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