Ethanol → HCID 178444802, 화합물
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[C:13]([CH3:14])([CH3:15])([CH2:16][CH2:17][CH3:18])[NH2:19].[CH3:20][CH2:21][OH:22].[n:1]1[n:2][n:3][n:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]1[O:11][CH2:12]1)[cH:9]2>>[n:1]1[n:2][n:3][n:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]([OH:11])[CH2:12][NH:19][C:13]([CH3:14])([CH3:15])[CH2:16][CH2:17][CH3:18])[cH:9]2참가 물질
4
출처 및 근거
- ORD 기록
- ord-a011c682845b45a1b8f10688f5969586
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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