Acetic Acid → HCID 20145007, 화합물
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[BrH:21].[C:17]([OH:18])(=[O:19])[CH3:20].[CH3:1][NH:2][c:3]1[s:4][c:5]([C:13]([CH2:14][CH3:15])=[O:16])[c:6]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[n:7]1.[CH3:23][C:24](=[O:25])[OH:26].[OH2:22]>>[CH3:1][NH:2][c:3]1[s:4][c:5]([C:13]([CH:14]([CH3:15])[Br:21])=[O:16])[c:6]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[n:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-d96d8dbce5b444c0851ece7d5e1b66ec
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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