Acetone → HCID 13605832, 화합물
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[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[c:6]([CH3:27])[c:7]2[c:12]([c:13]([CH3:16])[c:14]1[CH3:15])[O:11][C:10]([CH3:17])([CH2:18][O:19][c:20]1[cH:21][cH:22][c:23]([NH2:26])[cH:24][cH:25]1)[CH2:9][CH2:8]2.[C:32]([CH:33]=[CH2:34])(=[O:35])[O:36][CH2:37][CH3:38].[CH3:40][C:41](=[O:42])[CH3:43].[ClH:39].[N:28]([O-:29])=[O:30].[Na+:31].[OH2:44]>>[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[c:6]([CH3:27])[c:7]2[c:12]([c:13]([CH3:16])[c:14]1[CH3:15])[O:11][C:10]([CH3:17])([CH2:18][O:19][c:20]1[cH:21][cH:22][c:23]([CH2:34][CH:33]([C:32](=[O:35])[O:36][CH2:37][CH3:38])[Cl:39])[cH:24][cH:25]1)[CH2:9][CH2:8]2참가 물질
8
출처 및 근거
- ORD 기록
- ord-337b91077ba84ee1ad885e0803b494f7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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