Water → HCID 19828471, 화합물
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[CH3:1][C:2]1([CH3:25])[O:3][c:4]2[c:5]([c:8]([CH:13]([c:14]3[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]3)[O:21][C:22]([CH3:23])=[O:24])[cH:9][n:10][c:11]2[CH3:12])[CH2:6][O:7]1.[F:26][C:27]([F:28])([F:29])[C:30]([OH:31])=[O:32].[OH2:33]>>[OH:3][c:4]1[c:5]([CH2:6][OH:7])[c:8]([CH:13]([c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[O:21][C:22]([CH3:23])=[O:24])[cH:9][n:10][c:11]1[CH3:12]참가 물질
4
출처 및 근거
- ORD 기록
- ord-c74daa19db614ce69d6ea31d4301e79b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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