6-[4-[3-(Difluoromethyl)-5-fluorobenzyl]piperazin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine → 3-(Difluoromethyl)-6-[4-[3-(difluoromethyl)-5-fluorobenzyl]piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazine

반응식

[F:19][CH:20]([c:21]1[cH:22][c:23]([CH2:24][N:25]2[CH2:26][CH2:27][N:28]([c:31]3[cH:32][cH:33][c:34]4[n:35]([n:36]3)[c:37]([C:40]([F:41])([F:42])[F:43])[n:38][n:39]4)[CH2:29][CH2:30]2)[cH:44][c:45]([F:47])[cH:46]1)[F:48].[F:1][CH:2]([F:3])[c:4]1[n:5]2[n:6][c:7]([N:8]3[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]3)[cH:14][cH:15][c:16]2[n:17][n:18]1>>[F:19][CH:20]([c:21]1[cH:22][c:23]([CH2:24][N:25]2[CH2:26][CH2:27][N:28]([c:31]3[cH:32][cH:33][c:34]4[n:35]([n:36]3)[c:37]([CH:40]([F:41])[F:42])[n:38][n:39]4)[CH2:29][CH2:30]2)[cH:44][c:45]([F:47])[cH:46]1)[F:48]

참가 물질

반응물 2

HCID 591496866-[4-[3-(Difluoromethyl)-5-fluorobenzyl]piperazin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

HCID 673418813-(Difluoromethyl)-6-(piperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

생성물 1

HCID 673393013-(Difluoromethyl)-6-[4-[3-(difluoromethyl)-5-fluorobenzyl]piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazine

출처 및 근거

ORD 기록: ord-804aa7f813c143a0b1a5963a01630810
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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