Ethanol → 6-[4-(5-Bromopyridin-2-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

반응식

[Br:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[n:6][cH:7]1.[CH3:28][CH2:29][OH:30].[Cl:14][c:15]1[cH:16][cH:17][c:18]2[n:19]([n:20]1)[c:21]([C:24]([F:25])([F:26])[F:27])[n:22][n:23]2>>[Br:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([c:15]3[cH:16][cH:17][c:18]4[n:19]([n:20]3)[c:21]([C:24]([F:25])([F:26])[F:27])[n:22][n:23]4)[CH2:12][CH2:13]2)[n:6][cH:7]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 6136576-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazine

HCID 164142271-(5-Bromopyridin-2-yl)piperazine

생성물 1

HCID 368336896-[4-(5-Bromopyridin-2-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

출처 및 근거

ORD 기록: ord-83bb3688553e4bf3bd459dbbe7a55a56
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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