Acetone → HCID 53953563, 화합물
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[CH3:1][C:2]1([CH3:16])[O:3][c:4]2[c:5]([c:7]([CH3:15])[c:8]([CH3:14])[c:9]([CH:12]=[O:13])[c:10]2[CH3:11])[CH2:6]1.[CH3:20][C:21]([CH3:22])=[O:23].[Na+:19].[OH-:18].[OH2:17]>>[CH3:1][C:2]1([CH3:16])[O:3][c:4]2[c:5]([c:7]([CH3:15])[c:8]([CH3:14])[c:9]([CH:12]=[CH:20][C:21]([CH3:22])=[O:23])[c:10]2[CH3:11])[CH2:6]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-afeda044b0e144b9ba4750a6e69bf306
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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