Isopropanol → HCID 20130703, 화합물
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[CH3:25][O:26][S:27]([O:28][CH3:29])(=[O:30])=[O:31].[CH:32]([OH:33])([CH3:34])[CH3:35].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH:7]([CH3:8])[CH3:9])[cH:10][c:11](-[n:15]2[c:16](=[O:24])[nH:17][c:18]([CH2:22][CH3:23])[cH:19][c:20]2=[O:21])[c:12]([F:14])[cH:13]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH:7]([CH3:8])[CH3:9])[cH:10][c:11](-[n:15]2[c:16](=[O:24])[n:17]([CH3:25])[c:18]([CH2:22][CH3:23])[cH:19][c:20]2=[O:21])[c:12]([F:14])[cH:13]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-729584b205544996bf90be8acaf69e0f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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