4-Chloro-2-pyridinecarbonitrile → 4-[[1-[3-(Trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]oxy]pyridine-2-carbonitrile
반응식
[Cl:1][c:2]1[cH:3][c:4]([C:8]#[N:9])[n:5][cH:6][cH:7]1.[F:10][C:11]([c:12]1[n:13][n:14][c:15]2[n:16]1[n:17][c:18]([N:21]1[CH2:22][CH2:23][CH:24]([OH:27])[CH2:25][CH2:26]1)[cH:19][cH:20]2)([F:28])[F:29]>>[c:2]1([O:27][CH:24]2[CH2:23][CH2:22][N:21]([c:18]3[n:17][n:16]4[c:12]([C:11]([F:10])([F:28])[F:29])[n:13][n:14][c:15]4[cH:20][cH:19]3)[CH2:26][CH2:25]2)[cH:3][c:4]([C:8]#[N:9])[n:5][cH:6][cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-f2e22a53ae954a298a3856c6443b954e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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