Ethanol → HCID 22350930, 화합물
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[CH3:13][N:14]([CH2:15][CH2:16][CH2:17][NH2:18])[CH3:19].[CH3:20][CH2:21][OH:22].[n:1]1[c:2]([NH:7][C:8]([S:9][CH2:10][CH3:11])=[S:12])[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([NH:7][C:8](=[S:12])[NH:18][CH2:17][CH2:16][CH2:15][N:14]([CH3:13])[CH3:19])[cH:3][cH:4][cH:5][cH:6]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-e8f7f87ff21948c4868cd20cb635fb34
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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