Ethanol → HCID 22285321, 화합물
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[CH3:24][CH2:25][OH:26].[F:1][c:2]1[cH:3][c:4](-[c:11]2[c:12]([C:17]#[N:18])[cH:13][cH:14][cH:15][cH:16]2)[cH:5][c:6]([N+:8]([O-:9])=[O:10])[cH:7]1.[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[OH2:19].[OH2:20].[Sn:21]([Cl:22])[Cl:23]>>[F:1][c:2]1[cH:3][c:4](-[c:11]2[c:12]([C:17]#[N:18])[cH:13][cH:14][cH:15][cH:16]2)[cH:5][c:6]([NH2:8])[cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-c03d70f60a7e4d10ac861fe94bf232f3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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