Ethanol → HCID 59349505, 화합물
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[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][CH2:10][O:11][c:12]2[cH:13][c:14]([N+:19]([O-:20])=[O:21])[c:15]([NH2:16])[cH:17][cH:18]2)[CH2:6][CH2:7]1.[CH3:22][CH2:23][OH:24]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][CH2:10][O:11][c:12]2[cH:13][c:14]([NH2:19])[c:15]([NH2:16])[cH:17][cH:18]2)[CH2:6][CH2:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-b5c3a338f208439d83e4455a05c5640d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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