Water → 6,7-dichloro-2-cyclopentyl-5-methoxy-2,3-dihydro-1H-inden-1-one
반응식
[Cl:1][c:2]1[c:3]([C:11]([C:12](=[CH2:13])[CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)=[O:19])[cH:4][cH:5][c:6]([O:9][CH3:10])[c:7]1[Cl:8].[OH2:20].[S:21](=[O:22])(=[O:23])([OH:24])[OH:25]>>[Cl:1][c:2]1[c:3]2[c:4]([cH:5][c:6]([O:9][CH3:10])[c:7]1[Cl:8])[CH2:13][CH:12]([CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18]1)[C:11]2=[O:19]참가 물질
4
출처 및 근거
- ORD 기록
- ord-1baaf26893ea4be2852f25da9518b114
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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