Water → 4,5-Dimethyl-6-oxo-7-isopropyl-7,8-dihydro-6H-indeno[5,4-b]furan-2-carboxylic acid
반응식
[CH2:1]=[C:2]([C:3](=[O:4])[c:5]1[c:6]([CH3:18])[c:7]([CH3:17])[c:8]2[c:9]([cH:10][c:11]([C:13](=[O:14])[OH:15])[o:12]2)[cH:16]1)[CH:19]([CH3:20])[CH3:21].[OH2:27].[S:22](=[O:23])(=[O:24])([OH:25])[OH:26]>>[CH2:1]1[CH:2]([CH:19]([CH3:20])[CH3:21])[C:3](=[O:4])[c:5]2[c:6]([CH3:18])[c:7]([CH3:17])[c:8]3[c:9]([cH:10][c:11]([C:13](=[O:14])[OH:15])[o:12]3)[c:16]21참가 물질
4
출처 및 근거
- ORD 기록
- ord-b7dcec784d26454dbbe213a2021461cb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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