Ethanol → Mcn 2891
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[CH3:26][CH2:27][OH:28].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[c:9]([CH3:21])[cH:10][c:11]([CH:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH3:20])[n:12]2[CH3:13])[cH:22][cH:23]1.[Na+:25].[OH-:24]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[c:9]([CH3:21])[cH:10][c:11]([CH:14]([C:15](=[O:16])[OH:17])[CH3:20])[n:12]2[CH3:13])[cH:22][cH:23]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-0a53c45b6bde46d9afe4b40c5b3571a4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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