Acetic Acid → HCID 22063473, 화합물
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[CH2:6]([CH3:7])[c:8]1[cH:9][cH:10][c:11]([CH2:14][C:15]([CH3:16])([OH:17])[CH3:18])[cH:12][cH:13]1.[CH3:19][C:20]#[N:21].[CH3:24][C:25](=[O:26])[OH:27].[Na+:23].[OH-:22].[OH2:28].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[CH2:6]([CH3:7])[c:8]1[cH:9][cH:10][c:11]([CH2:14][C:15]([CH3:16])([CH3:18])[NH:21][C:20]([CH3:19])=[O:22])[cH:12][cH:13]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-ff56bcfecfe144379390e78925811b24
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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