Sodium Ion → 3-Bromo-4-hydroxy-5-methoxybenzonitrile
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[Br:8][c:9]1[cH:10][c:11]([CH:12]=[O:13])[cH:14][c:15]([O:18][CH3:19])[c:16]1[OH:17].[Na+:1].[Na+:2].[O-:3][S:4](=[O:5])(=[O:6])[O-:7].[OH:25][NH3+:26].[OH:27][NH3+:28].[S:20]([O-:21])([O-:22])(=[O:23])=[O:24]>>[Br:8][c:9]1[cH:10][c:11]([C:12]#[N:26])[cH:14][c:15]([O:18][CH3:19])[c:16]1[OH:17]참가 물질
5
출처 및 근거
- ORD 기록
- ord-e4af1890969047849df0558dfbfcbb68
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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