Ethanol → HCID 11392136, 화합물
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[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8]([CH3:23])[c:9](=[O:22])[cH:10][c:11]1[NH:12][c:13]1[c:14]([F:21])[cH:15][c:16]([CH2:19][CH3:20])[cH:17][cH:18]1.[CH3:26][CH2:27][OH:28].[Na+:25].[OH-:24]>>[O:3]=[C:4]([OH:5])[c:6]1[cH:7][n:8]([CH3:23])[c:9](=[O:22])[cH:10][c:11]1[NH:12][c:13]1[c:14]([F:21])[cH:15][c:16]([CH2:19][CH3:20])[cH:17][cH:18]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-62fef1bc8e7a4e8fac48a00dc11355bc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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