Water → Cyclohexanone, 4-[(acetyloxy)methyl]-4-(4-fluorophenyl)-
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[CH3:23][C:24](=[O:25])[O:26][C:27](=[O:28])[CH3:29].[OH2:30].[OH:1][CH2:2][C:3]1([c:10]2[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]2)[CH2:4][CH2:5][C:6](=[O:9])[CH2:7][CH2:8]1.[cH:17]1[cH:18][cH:19][n:20][cH:21][cH:22]1>>[O:1]([CH2:2][C:3]1([c:10]2[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]2)[CH2:4][CH2:5][C:6](=[O:9])[CH2:7][CH2:8]1)[C:24]([CH3:23])=[O:25]참가 물질
5
출처 및 근거
- ORD 기록
- ord-cbfef9b84ad445498b7f5f770028a13c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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