Ethanol → Ethyl 6-(3'chlorophenyl)-6-cyano-5-keto-3,3-dimethylhexanoate
반응식
[CH3:11][C:12]([CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18])([CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH3:25].[CH3:27][CH2:28][OH:29].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][C:6]#[N:7])[cH:8][cH:9][cH:10]1.[Na:26]>>[Cl:1][c:2]1[cH:3][c:4]([CH:5]([C:6]#[N:7])[C:20]([CH2:19][C:12]([CH3:11])([CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18])[CH3:25])=[O:21])[cH:8][cH:9][cH:10]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-1989c1e9405a427c9ef848612edefe11
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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