Acetone → HCID 178498347, 화합물
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[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([CH2:21][CH:22]([CH3:23])[CH3:24])[c:6]([C:17](=[O:18])[O:19][CH3:20])[c:7]([CH:14]([F:15])[F:16])[n:8][c:9]1[C:10]([F:11])([F:12])[F:13].[CH3:29][O-:30].[CH3:33][OH:34].[CH3:36][C:37]([CH3:38])=[O:39].[CH:25](=[O:26])[O:27][CH3:28].[ClH:32].[Na+:31].[OH2:35].[n:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[C:1]([CH:2]=[CH:25][OH:26])(=[O:3])[c:4]1[c:5]([CH2:21][CH:22]([CH3:23])[CH3:24])[c:6]([C:17](=[O:18])[O:19][CH3:20])[c:7]([CH:14]([F:15])[F:16])[n:8][c:9]1[C:10]([F:11])([F:12])[F:13]참가 물질
10
출처 및 근거
- ORD 기록
- ord-2b150189d5904b459fc1c08ec9a01b6c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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