[2-(Trifluoromethyl)pyridin-3-yl]boronic acid → 2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-9-(2-trifluoromethyl-pyridin-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

반응식

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)-[c:7]1[n:8][c:9](-[c:15]3[n:16]([CH:20]([CH3:21])[CH3:22])[n:17][cH:18][n:19]3)[s:10][c:11]1[CH2:12][CH2:13][O:14]2.[F:24][C:25]([c:26]1[n:27][cH:28][cH:29][cH:30][c:31]1[B:32]([OH:33])[OH:34])([F:35])[F:36]>>[c:2]1(-[c:31]2[c:26]([C:25]([F:24])([F:35])[F:36])[n:27][cH:28][cH:29][cH:30]2)[cH:3][cH:4][c:5]2[c:6]([cH:23]1)-[c:7]1[n:8][c:9](-[c:15]3[n:16]([CH:20]([CH3:21])[CH3:22])[n:17][cH:18][n:19]3)[s:10][c:11]1[CH2:12][CH2:13][O:14]2

참가 물질

반응물 2

HCID 44717660[2-(Trifluoromethyl)pyridin-3-yl]boronic acid

HCID 532349749-Bromo-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

생성물 1

HCID 582037802-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-9-(2-trifluoromethyl-pyridin-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

출처 및 근거

ORD 기록: ord-45d0585ec06542a3b0e1b4888b496f04
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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