1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine → 6-tert-Butyl-2-[4-(3-trifluoromethylpyridin-2-yl)piperazin-1-yl]-1H-benzoimidazole
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([nH:10][c:11]([Cl:13])[n:12]2)[cH:14]1.[F:15][C:16]([c:17]1[c:18]([N:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)[n:19][cH:20][cH:21][cH:22]1)([F:29])[F:30]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([nH:10][c:11]([N:26]3[CH2:25][CH2:24][N:23]([c:18]4[c:17]([C:16]([F:15])([F:29])[F:30])[cH:22][cH:21][cH:20][n:19]4)[CH2:28][CH2:27]3)[n:12]2)[cH:14]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-2ac349fbb4fa4b2eacd92d134095a31b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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