Ethanol → HCID 178488922, 화합물
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[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[nH:10][cH:11][c:12](-[c:14]3[c:15]([N+:20]([O-:21])=[O:22])[cH:16][cH:17][cH:18][cH:19]3)[n:13]2)[cH:7][cH:8]1.[CH3:23][CH2:24][OH:25]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[nH:10][cH:11][c:12](-[c:14]3[c:15]([NH2:20])[cH:16][cH:17][cH:18][cH:19]3)[n:13]2)[cH:7][cH:8]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-9bf8f1429a5c4e3d9e264b1ac2d61692
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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