6-[4-[2-(Difluoromethyl)-5-fluorobenzyl]piperazin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine → 6-[4-[2-(Difluoromethyl)-5-fluorobenzyl]piperazin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine
반응식
[F:20][CH:21]([c:22]1[c:23]([CH2:24][N:25]2[CH2:26][CH2:27][N:28]([c:29]3[cH:30][cH:31][c:32]4[n:33]([c:34]([C:35]([F:36])([F:37])[F:38])[n:39][n:40]4)[n:41]3)[CH2:42][CH2:43]2)[cH:44][c:45]([F:48])[cH:46][cH:47]1)[F:49].[N:1]1([c:7]2[cH:8][cH:9][c:10]3[n:11]([cH: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]([cH:12]2)[c:13]([C:16]([F:17])([F:18])[F:19])[n:14][n:15]3)[CH2:2][CH2:3][N:4]([CH2:24][c:23]2[c:22]([CH:21]([F:20])[F:49])[cH:47][cH:46][c:45]([F:48])[cH:44]2)[CH2:5][CH2:6]1참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-cfe060a7e35c4aff8afa6ffb3d82a9f1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
반응 노트
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