Acetone → 6-acetyl-4-oxo-4H-1-benzopyran-3-carbonitrile
반응식
[CH3:17][C:18](=[O:19])[CH3:20].[O:21]=[Cr:22](=[O:23])=[O:24].[OH2:30].[OH:1][CH:2]([CH3:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([c:9](=[O:15])[c:10]([C:13]#[N:14])[cH:11][o:12]2)[cH:16]1.[S:25](=[O:26])(=[O:27])([OH:28])[OH:29]>>[O:1]=[C:2]([CH3:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([c:9](=[O:15])[c:10]([C:13]#[N:14])[cH:11][o:12]2)[cH:16]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-247eaf9811b04eaab9141bc7fa9753eb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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