Methanol → 2,4,4-Trimethyl-3-oxopentanenitrile
반응식
[C:13]([CH2:14][CH3:15])#[N:16].[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])([O:7][CH3:6])=[O:8].[CH3:11][OH:12].[CH3:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[H-:9].[Na+:10]>>[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:7])[CH:14]([C:13]#[N:16])[CH3:15]참가 물질
7
출처 및 근거
- ORD 기록
- ord-a5515aff7cc146b587868ee04be438a8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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