Dimethyl Sulfoxide → 6-[p-(4-Benzyl-1-piperazinyl)phenyl]-1,2-dihydro-2-oxonicotinonitrile
반응식
[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[N:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:30][S:31](=[O:32])[CH3:33].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[nH:9][c:10](=[O:16])[c:11]([C:12]#[N:13])[cH:14][cH:15]2)[cH:6][cH:7]1>>[c:2]1([N:27]2[CH2:26][CH2:25][N:24]([CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:29][CH2:28]2)[cH:3][cH:4][c:5](-[c:8]2[nH:9][c:10](=[O:16])[c:11]([C:12]#[N:13])[cH:14][cH:15]2)[cH:6][cH:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-b7acf000c4ae472e9b7f4fe39fc12bd9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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