Ethanol → HCID 20071612, 화합물
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[CH3:28][CH2:29][OH:30].[Cl:1][c:2]1[c:3]([F:26])[cH:4][c:5]2[c:6]([n:7][c:8]3[n:9]([CH2:21][O:22][CH2:23][CH3:24])[cH:10][c:11]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[c:12](=[O:15])[c:13]3[cH:14]2)[cH:25]1.[K+:32].[OH-:31].[OH2:27]>>[Cl:1][c:2]1[c:3]([F:26])[cH:4][c:5]2[c:6]([n:7][c:8]3[n:9]([CH2:21][O:22][CH2:23][CH3:24])[cH:10][c:11]([C:16](=[O:17])[OH:18])[c:12](=[O:15])[c:13]3[cH:14]2)[cH:25]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-6c28474a168c409f878468837733f8ee
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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