Trifluoroacetic acid → 6-((6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)difluoromethyl)pyridazin-3-amine

반응식

[Br:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([cH:7]1)[c:8]([C:11]([c:12]1[cH:13][cH:14][c:15]([NH:18][CH2:19][c:20]3[cH:21][cH:22][c:23]([O:24][CH3:25])[cH:26][c:27]3[O:28][CH3:29])[n:16][n:17]1)([F:30])[F:31])[n:9][n:10]2.[CH3:32][O:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([cH:7]1)[c:8]([C:11]([c:12]1[cH:13][cH:14][c:15]([NH2:18])[n:16][n:17]1)([F:30])[F:31])[n:9][n:10]2

참가 물질

반응물 3

HCID 6422Trifluoroacetic acid

HCID 7519Anisole

HCID 592332696-((6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)difluoromethyl)-N-(2,4-dimethoxybenzyl)pyridazin-3-amine

생성물 1

HCID 592332076-((6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)difluoromethyl)pyridazin-3-amine

출처 및 근거

ORD 기록: ord-ff66749ce2754dc6a8e18e055ff2442c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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