Ethanol → 2-(4-Hydroxypiperidin-1-yl)-5-nitrobenzonitrile
반응식
[CH3:20][CH2:21][OH:22].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([N+:10](=[O:11])[O-:12])[cH:8][cH:9]1.[OH:13][CH:14]1[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1>>[c:2]1([N:17]2[CH2:16][CH2:15][CH:14]([OH:13])[CH2:19][CH2:18]2)[c:3]([C:4]#[N:5])[cH:6][c:7]([N+:10](=[O:11])[O-:12])[cH:8][cH:9]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-be23cd04e188464ead7f87f51d65878c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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