Chloride → Coumarin, 8-acetyl-7-hydroxy-4-methyl-
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[Al+3:15].[CH3:1][c:2]1[cH:3][c:4](=[O:13])[o:5][c:6]2[cH:7][c:8]([OH:12])[cH:9][cH:10][c:11]12.[CH3:21][C:22]([Cl:23])=[O:24].[Cl-:14].[Cl-:16].[Cl-:17].[Cl-:19].[ClH:20].[Na+:18].[OH2:25]>>[CH3:1][c:2]1[cH:3][c:4](=[O:13])[o:5][c:6]2[c:7]([C:22]([CH3:21])=[O:24])[c:8]([OH:12])[cH:9][cH:10][c:11]12참가 물질
8
출처 및 근거
- ORD 기록
- ord-509ecf6f2d954697a663794598fa1903
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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