Ethanol → HCID 59625627, 화합물
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[CH3:25][CH2:26][OH:27].[Na+:24].[OH-:23].[o:1]1[c:2]([CH2:6][NH:7][c:8]2[n:9][c:10]3[c:15]([cH:16][c:17]2[C:18](=[O:19])[O:20][CH2:21][CH3:22])[CH2:14][CH2:13][CH2:12][CH2:11]3)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2]([CH2:6][NH:7][c:8]2[n:9][c:10]3[c:15]([cH:16][c:17]2[C:18](=[O:19])[OH:20])[CH2:14][CH2:13][CH2:12][CH2:11]3)[cH:3][cH:4][cH:5]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-d1c729dc4a4d4f64907138d9d630ca64
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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