Ethanol → HCID 20513473, 화합물
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[CH3:1][O:2][c:3]1[c:4]([CH2:17][C:18]#[N:19])[cH:5][cH:6][cH:7][c:8]1[S:9][c:10]1[c:11]([Cl:16])[cH:12][cH:13][cH:14][cH:15]1.[CH3:23][CH2:24][OH:25].[K+:21].[OH-:20].[OH2:22]>>[CH3:1][O:2][c:3]1[c:4]([CH2:17][C:18](=[O:20])[OH:22])[cH:5][cH:6][cH:7][c:8]1[S:9][c:10]1[c:11]([Cl:16])[cH:12][cH:13][cH:14][cH:15]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-b37581783be642b38b6173c5cb4fc327
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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