Acetone → 2-Hydroxy-3,3-dimethyl-2,3-dihydrobenzofuran-5-carbonitrile
반응식
[CH3:15][C:16]([CH3:17])=[O:18].[Cl:1][CH:2]1[O:3][c:4]2[c:5]([cH:9][c:10]([C:13]#[N:14])[cH:11][cH:12]2)[C:6]1([CH3:7])[CH3:8].[OH2:19]>>[CH:2]1([OH:18])[O:3][c:4]2[c:5]([cH:9][c:10]([C:13]#[N:14])[cH:11][cH:12]2)[C:6]1([CH3:7])[CH3:8]참가 물질
4
출처 및 근거
- ORD 기록
- ord-edf766a26da64473bc97c33c90effb88
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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