Ethanol → HCID 21455283, 화합물
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[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11](-[c:15]2[n:16][n:17]3[c:18]([n:26]2)-[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[CH2:25]3)[cH:12][cH:13][cH:14]1.[CH2:27]([Cl:28])[Cl:29].[CH3:30][CH2:31][OH:32]>>[OH:8][c:9]1[cH:10][c:11](-[c:15]2[n:16][n:17]3[c:18]([n:26]2)-[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[CH2:25]3)[cH:12][cH:13][cH:14]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-e4b64fadae79486dae574fb533664c88
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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