Acetate → HCID 178468336, 화합물
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[CH3:18][C:19](=[O:20])[O-:21].[CH3:22][C:23](=[O:24])[CH2:25][C:26]([CH3:27])=[O:28].[CH3:29][C:30](=[O:31])[OH:32].[ClH:33].[F:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1.[N:13]([O-:14])=[O:15].[Na+:16].[Na+:17].[OH2:34]>>[F:1][c:2]1[c:3]([NH:4][N:13]=[C:25]([C:23]([CH3:22])=[O:24])[C:26]([CH3:27])=[O:28])[cH:5][cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-3a36e3298d5145629aa37ae294b66df7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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