Acetone → 2-[5-(4-Chloro-phenyl)-2-ethyl-thiophen-3-yl]-cyclopent-4-ene-1,3-dione
반응식
[CH3:22][C:23](=[O:24])[CH3:25].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([CH:15]3[CH:16]([OH:21])[CH:17]=[CH:18][C:19]3=[O:20])[c:11]([CH2:13][CH3:14])[s:12]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([CH:15]3[C:16](=[O:21])[CH:17]=[CH:18][C:19]3=[O:20])[c:11]([CH2:13][CH3:14])[s:12]2)[cH:6][cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-faa827a4e1fb4fdbb51ef70cb87198fc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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