Ethanol → DR 3438
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[CH3:29][CH2:30][OH:31].[Cl:1][c:2]1[cH:3][c:4]([O:20][CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:5][c:6]2[c:7]1[c:8](=[O:19])[c:9](-[c:12]1[c:13]([CH3:18])[cH:14][cH:15][cH:16][cH:17]1)[cH:10][o:11]2.[Na+:28].[OH-:27]>>[Cl:1][c:2]1[cH:3][c:4]([O:20][CH2:21][C:22](=[O:23])[OH:24])[cH:5][c:6]2[c:7]1[c:8](=[O:19])[c:9](-[c:12]1[c:13]([CH3:18])[cH:14][cH:15][cH:16][cH:17]1)[cH:10][o:11]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-91aad1f9fee34b07a2be3b23fa3fe139
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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