6-Piperazino-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine → N-[3-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]phenyl]methanesulfonamide

반응식

[CH:20](=[O:21])[c:22]1[cH:23][c:24]([NH:28][S:29](=[O:30])(=[O:31])[CH3:32])[cH:25][cH:26][cH:27]1.[N:1]1([c:7]2[cH:8][cH:9][c:10]3[n:11]([n:12]2)[c:13]([C:16]([F:17])([F:18])[F:19])[n:14][n:15]3)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1>>[N:1]1([c:7]2[cH:8][cH:9][c:10]3[n:11]([n:12]2)[c:13]([C:16]([F:17])([F:18])[F:19])[n:14][n:15]3)[CH2:2][CH2:3][N:4]([CH2:20][c:22]2[cH:23][c:24]([NH:28][S:29](=[O:30])(=[O:31])[CH3:32])[cH:25][cH:26][cH:27]2)[CH2:5][CH2:6]1

참가 물질

반응물 2

HCID 14768626-Piperazino-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

HCID 2794787N-(3-formylphenyl)methanesulfonamide

생성물 1

HCID 67340018N-[3-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]phenyl]methanesulfonamide

출처 및 근거

ORD 기록: ord-aa0c5a1c40cb4033ad23229cc1449c75
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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