Ethanol → HCID 23288445, 화합물
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[CH2:27]([OH:28])[CH3:29].[Na+:25].[OH-:24].[OH2:26].[OH:1][c:2]1[c:3]([NH:11][C:12](=[O:13])[NH:14][CH:15]([CH:16]([CH3:17])[CH3:18])[C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:4][cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1>>[OH:1][c:2]1[c:3]([NH:11][C:12](=[O:13])[NH:14][C:15]([CH:16]([CH3:17])[CH3:18])=[C:19]=[O:20])[cH:4][cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-38613b5d78734ea0a8f0a2d6d463367e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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