Ethanol → HCID 22277806, 화합물
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[CH3:18][CH2:19][O:20][C:21]([CH3:22])=[O:23].[CH3:1][c:2]1[c:3]([N+:15]([O-:16])=[O:17])[cH:4][cH:5][c:6]2[s:7][c:8]3[c:9]([c:10]12)[cH:11][cH:12][cH:13][cH:14]3.[CH3:24][CH2:25][OH:26]>>[CH3:1][c:2]1[c:3]([NH2:15])[cH:4][cH:5][c:6]2[s:7][c:8]3[c:9]([c:10]12)[cH:11][cH:12][cH:13][cH:14]3참가 물질
4
출처 및 근거
- ORD 기록
- ord-a10169980bd341c697c26c4b64d3b735
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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