Methanol → 6-chloro-4-phenylisocoumarin-3-carboxylic Acid Methyl Ester
반응식
[CH3:27][OH:28].[Cl:1][c:2]1[cH:3][c:4]2[c:5](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:6]([C:13](=[O:14])[OH:15])[o:7][c:8](=[O:9])[c:10]2[cH:11][cH:12]1.[S:22](=[O:23])(=[O:24])([OH:25])[OH:26]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:6]([C:13]([O:14][CH3:27])=[O:15])[o:7][c:8](=[O:9])[c:10]2[cH:11][cH:12]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-fddf66fef4294914acedf13e03863760
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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