Ethanol → 3-Hydroxy-2-(2,4,6-trimethylphenyl)acrylonitrile
반응식
[CH3:19][CH2:20][O-:21].[CH3:1][c:2]1[c:3]([CH2:10][C:11]#[N:12])[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1.[CH3:23][CH2:24][OH:25].[CH:13](=[O:14])[O:15][CH2:16][CH3:17].[Na+:18].[OH2:22]>>[CH3:1][c:2]1[c:3]([C:10]([C:11]#[N:12])=[CH:13][OH:14])[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-571a954f6fdb494c991754f7150bd14e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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