Ethanol → HCID 20164680, 화합물
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[BH4-:24].[CH3:26][CH2:27][OH:28].[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([CH3:12])=[O:13])([c:14]2[cH:15][n:16][cH:17][cH:18][cH:19]2)[OH:20])[CH2:21][C:22]#[CH:23])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Na+:25]>>[Cl:1][c:2]1[c:3]([CH:9]([C:10]([CH:11]([CH3:12])[OH:13])([c:14]2[cH:15][n:16][cH:17][cH:18][cH:19]2)[OH:20])[CH2:21][C:22]#[CH:23])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-8b368940248a4333b8b4d881065ca132
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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