Methanol → 4-[[1-[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]oxy]phenol
반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([O:13][CH:14]2[CH2:15][CH2:16][N:17]([c:20]3[cH:21][cH:22][c:23]4[n:24]([n:25]3)[c:26]([C:29]([F:30])([F:31])[F:32])[n:27][n:28]4)[CH2:18][CH2:19]2)[cH:33][cH:34]1.[CH3:37][OH:38].[H:35][H:36]>>[OH:8][c:9]1[cH:10][cH:11][c:12]([O:13][CH:14]2[CH2:15][CH2:16][N:17]([c:20]3[cH:21][cH:22][c:23]4[n:24]([n:25]3)[c:26]([C:29]([F:30])([F:31])[F:32])[n:27][n:28]4)[CH2:18][CH2:19]2)[cH:33][cH:34]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-4b5cbf4277ed41fc8a18cb1b83e10a72
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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