Acetate → HCID 55285529, 화합물
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[Al+3:24].[CH2:37]([OH:38])[CH3:39].[CH3:12][C:13](=[O:14])[O-:15].[CH3:1][C:2]1=[CH:3][C:4](=[O:10])[CH2:5][CH2:6][C:7]1([CH3:8])[CH3:9].[H-:23].[H-:26].[H-:27].[H-:28].[Li+:25].[NH2:21][OH:22].[Na+:11].[Na+:29].[Na+:30].[O-:31][S:32](=[O:33])(=[O:34])[O-:35].[OH2:36].[S:16]([OH:17])([OH:18])(=[O:19])=[O:20]>>[CH3:1][C:2]1=[CH:3][CH:4]([NH2:21])[CH2:5][CH2:6][C:7]1([CH3:8])[CH3:9]참가 물질
12
출처 및 근거
- ORD 기록
- ord-42cf982d148e4e3bb982847c7988a714
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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