Acetone → HCID 178440097, 화합물
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[BH4-:1].[C:3]([CH3:4])(=[O:5])[c:6]1[n:7][c:8]([CH2:16][CH2:17][CH3:18])[nH:9][c:10]1[C:11](=[O:12])[O:13][CH2:14][CH3:15].[CH3:19][C:20](=[O:21])[CH3:22].[CH3:23][CH2:24][OH:25].[Na+:2]>>[CH:3]([CH3:4])([OH:5])[c:6]1[n:7][c:8]([CH2:16][CH2:17][CH3:18])[nH:9][c:10]1[C:11](=[O:12])[O:13][CH2:14][CH3:15]참가 물질
6
출처 및 근거
- ORD 기록
- ord-7b84eecd883e405eb7e868e6de75ff8a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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