Ethanol → 1-Acetyl-piperidine-4-carboxylic acid [2-(4-fluoro-phenyl)-1-hydroxymethyl-2-oxo-ethyl]-amide
반응식
[C:26](=[O:27])([OH:28])[O-:29].[CH2:31]=[O:32].[CH3:23][CH2:24][OH:25].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][NH:10][C:11](=[O:12])[CH:13]2[CH2:14][CH2:15][N:16]([C:19]([CH3:20])=[O:21])[CH2:17][CH2:18]2)=[O:22])[cH:6][cH:7]1.[Na+:30].[OH2:33]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH:9]([NH:10][C:11](=[O:12])[CH:13]2[CH2:14][CH2:15][N:16]([C:19]([CH3:20])=[O:21])[CH2:17][CH2:18]2)[CH2:24][OH:25])=[O:22])[cH:6][cH:7]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-26152c33544a4b0baca60e4c30094f9b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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