Dichloromethane → 6-[4-[4-[2-(Piperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
반응식
[Cl:49][CH2:50][Cl:51].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[F:8][C:9]([c:10]1[n:11][n:12][c:13]2[n:14]1[N:15]=[C:16]([N:19]1[CH2:20][CH2:21][CH:22]([c:25]3[cH:26][cH:27][c:28]([O:29][CH2:30][CH2:31][N:32]4[CH2:33][CH2:34][N:35]([C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:36][CH2:37]4)[cH:45][cH:46]3)[CH2:23][CH2:24]1)[CH2:17][CH2:18]2)([F:47])[F:48]>>[F:8][C:9]([c:10]1[n:11][n:12][c:13]2[n:14]1[N:15]=[C:16]([N:19]1[CH2:20][CH2:21][CH:22]([c:25]3[cH:26][cH:27][c:28]([O:29][CH2:30][CH2:31][N:32]4[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]4)[cH:45][cH:46]3)[CH2:23][CH2:24]1)[CH2:17][CH2:18]2)([F:47])[F:48]참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-e65e2cf96af64129b591ca353769b2c3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
반응 노트
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