Ethanol → HCID 9999338, 화합물
반응식
[C:1]([CH3:2])(=[O:3])[N:4]1[N:5]=[C:6]([c:17]2[cH:18][cH:19][c:20]([N+:23]([O-:24])=[O:25])[cH:21][cH:22]2)[c:7]2[c:8]([cH:12][cH:13][c:14]([Br:16])[cH:15]2)[CH2:9][CH:10]1[CH3:11].[CH3:26][CH2:27][OH:28]>>[C:1]([CH3:2])(=[O:3])[N:4]1[N:5]=[C:6]([c:17]2[cH:18][cH:19][c:20]([NH2:23])[cH:21][cH:22]2)[c:7]2[c:8]([cH:12][cH:13][c:14]([Br:16])[cH:15]2)[CH2:9][CH:10]1[CH3:11]참가 물질
3
출처 및 근거
- ORD 기록
- ord-8a0481aa83f641189bc676761023e2c7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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