3-Methoxybenzaldehyde → 6-[4-[(3-Methoxyphenyl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

반응식

[CH3:20][O:21][c:22]1[cH:23][c:24]([CH:25]=[O:26])[cH:27][cH:28][cH:29]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]([CH2:25][c:24]2[cH:23][c:22]([O:21][CH3:20])[cH:29][cH:28][cH:27]2)[CH2:5][CH2:6]1

참가 물질

반응물 2

HCID 115693-Methoxybenzaldehyde

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

생성물 1

HCID 673407426-[4-[(3-Methoxyphenyl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

출처 및 근거

ORD 기록: ord-a2e11e31390c4160a69c332b272a2c56
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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