Acetone → 3a-Methyl-6-(3-oxo-butyl)-1,2,4,5,9a,9b-hexahydro-3aH-9-oxa-cyclopenta[a]naphthalene-3,7-dione
반응식
[CH3:26][C:27](=[O:28])[CH3:29].[CH3:2][C:3]12[CH:4]([CH:5]3[O:6][CH2:7][C:8](=[O:21])[C:9]([CH2:13][CH2:14][C:15]4([CH3:20])[O:16][CH2:19][CH2:18][O:17]4)=[C:10]3[CH2:11][CH2:12]1)[CH2:22][CH2:23][C:24]2=[O:25].[ClH:1]>>[CH3:2][C:3]12[CH:4]([CH:5]3[O:6][CH2:7][C:8](=[O:21])[C:9]([CH2:13][CH2:14][C:15](=[O:16])[CH3:20])=[C:10]3[CH2:11][CH2:12]1)[CH2:22][CH2:23][C:24]2=[O:25]참가 물질
4
출처 및 근거
- ORD 기록
- ord-5989bd537ea341feac09372be6ac237f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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