Ethyl Acetate → Tert-butyl 3-(4-cyano-3-methylphenyl)propanoate
반응식
[CH3:1][c:2]1[cH:3][c:4]([CH:10]=[CH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:5][cH:6][c:7]1[C:8]#[N:9].[CH3:21][CH2:22][O:23][C:24]([CH3:25])=[O:26].[H:19][H:20]>>[CH3:1][c:2]1[cH:3][c:4]([CH2:10][CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:5][cH:6][c:7]1[C:8]#[N:9]참가 물질
4
출처 및 근거
- ORD 기록
- ord-afa92c5394b645b9ba37892a636242ee
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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