Ethanol → HCID 178483571, 화합물
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[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][C:14](=[O:15])[CH2:16][C:17]#[N:18])[cH:11][cH:12]1)[CH3:19].[CH3:28][CH2:29][OH:30].[NH2:20][c:21]1[n:22][nH:23][cH:24][cH:25]1.[NH2:26][NH2:27]>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][c:24]2[n:23][nH:22][c:21]([NH2:20])[cH:25]2)[cH:11][cH:12]1)[CH3:19]참가 물질
5
출처 및 근거
- ORD 기록
- ord-9c240b740ac044e080e50666417a242f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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