Acetic Acid → HCID 58579955, 화합물
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[Br:1][c:2]1[c:3]([CH:12]=[O:13])[n:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[cH:11]1.[C:21]([BH3-:22])#[N:23].[CH3:14][CH2:15][NH2:16].[CH3:17][C:18](=[O:19])[OH:20].[CH3:30][OH:31].[Na+:24].[Na+:29].[O-:25][C:26]([OH:27])=[O:28]>>[Br:1][c:2]1[c:3]([CH2:12][NH:16][CH2:15][CH3:14])[n:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[cH:11]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-bc386606781a488ba3e1ad45e3e738b2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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