Chloride → Ethyl-6-(4-fluorophenyl)-6-oxohexanoate
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[Al+3:22].[CH2:9]([CH3:10])[O:11][C:12]([CH2:13][CH2:14][CH2:15][CH2:16][C:17](=[O:18])[OH:19])=[O:20].[Cl-:21].[Cl-:23].[Cl-:24].[Cl-:8].[F:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[OH2:25]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:17]([CH2:16][CH2:15][CH2:14][CH2:13][C:12]([O:11][CH2:9][CH3:10])=[O:20])=[O:18])[cH:6][cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-2656578495444bea970c77e6ee1fc8af
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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