Chloride → 5'-Hydroxy-2'-iodo-4'-methoxyacetophenone
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[Al+3:18].[Cl-:17].[Cl-:19].[Cl-:20].[Cl:21][CH2:22][Cl:23].[I:1][c:2]1[c:3]([C:14]([CH3:15])=[O:16])[cH:4][c:5]([O:10][CH:11]([CH3:12])[CH3:13])[c:6]([O:8][CH3:9])[cH:7]1>>[I:1][c:2]1[c:3]([C:14]([CH3:15])=[O:16])[cH:4][c:5]([OH:10])[c:6]([O:8][CH3:9])[cH:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-33e64f604945451bbecc77d8ede7276d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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