Ethanol → 2-[3,4-Bis(methyloxy)phenyl]-3-oxopentanenitrile
반응식
[C:14]([CH2:15][CH3:16])(=[O:17])[O:18][CH2:19][CH3:20].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:11][C:12]#[N:13])[cH:6][cH:7][c:8]1[O:9][CH3:10].[CH3:22][CH2:23][O-:24].[CH3:25][CH2:26][OH:27].[Na+:21]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:11]([C:12]#[N:13])[C:14]([CH2:15][CH3:16])=[O:17])[cH:6][cH:7][c:8]1[O:9][CH3:10]참가 물질
6
출처 및 근거
- ORD 기록
- ord-20bab9b52cb24479af6507e488f3b860
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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