Acetic Acid → 4-Acetyl-3-methyl-4-(4-pyridinyl)butanenitrile
반응식
[C:11]([CH:12]=[CH:13][CH3:14])#[N:15].[CH2:22]([Cl:23])[Cl:24].[CH3:16][O-:17].[CH3:20][OH:21].[CH3:25][C:26](=[O:27])[OH:28].[Na+:18].[Na:19].[n:1]1[cH:2][cH:3][c:4]([CH2:7][C:8]([CH3:9])=[O:10])[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4]([CH:7]([C:8]([CH3:9])=[O:10])[CH:13]([CH2:12][C:11]#[N:15])[CH3:14])[cH:5][cH:6]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-fb216a1e97a843828147ef5ab13d93b3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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