p-(2-(Dimethylamino)ethoxy)benzaldehyde → N,N-dimethyl-2-[4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]phenoxy]ethanamine

HRID 317060

반응식

HRID 317060 반응식
[CH3:20][N:21]([CH2:22][CH2:23][O:24][c:25]1[cH:26][cH:27][c:28]([CH:29]=[O:30])[cH:31][cH:32]1)[CH3:33].[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]([CH2:29][c:28]2[cH:27][cH:26][c:25]([O:24][CH2:23][CH2:22][N:21]([CH3:20])[CH3:33])[cH:32][cH:31]2)[CH2:5][CH2:6]1

참가 물질

3

반응물 2

HCID 84823p-(2-(Dimethylamino)ethoxy)benzaldehydeHCID 14768626-Piperazino-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

생성물 1

HCID 67341729N,N-dimethyl-2-[4-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]phenoxy]ethanamine

출처 및 근거

ORD 기록
ord-f8d734de250943ab88b64564b221e85d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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