Ethanol → HCID 21326076, 화합물
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[C:1]([CH3:2])(=[O:3])[NH:4][NH:5][c:6]1[s:7][c:8](-[c:11]2[c:12]([CH3:17])[cH:13][cH:14][cH:15][cH:16]2)[n:9][n:10]1.[CH3:19][I:20].[CH3:21][CH2:22][OH:23].[Na:18]>>[C:1]([CH3:2])(=[O:3])[N:4]([NH:5][c:6]1[s:7][c:8](-[c:11]2[c:12]([CH3:17])[cH:13][cH:14][cH:15][cH:16]2)[n:9][n:10]1)[CH3:19]참가 물질
5
출처 및 근거
- ORD 기록
- ord-e5f07ab069bf4bf8b3219971bfac8a89
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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