Ethanol → HCID 20316728, 화합물
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[CH3:13][S:14][C:15]([S:16][CH3:17])=[N:18][C:19]#[N:20].[CH3:21][CH2:22][OH:23].[NH2:1][CH2:2][CH2:3][S:4][CH2:5][c:6]1[n:7][cH:8][cH:9][cH:10][c:11]1[OH:12]>>[N:1]([CH2:2][CH2:3][S:4][CH2:5][c:6]1[n:7][cH:8][cH:9][cH:10][c:11]1[OH:12])=[C:15]([S:14][CH3:13])[NH:18][C:19]#[N:20]참가 물질
4
출처 및 근거
- ORD 기록
- ord-7b039d1f5c9843cb8e50a24515694bb8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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