Potassium Cation → 4-(2-Hydroxyethylthio)-3-nitrobenzoic acid
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[C:18](=[O:19])([O-:20])[O-:21].[F:1][c:2]1[c:3]([N+:11](=[O:12])[O-:13])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[K+:22].[K+:23].[O:24]=[CH:25][N:26]([CH3:27])[CH3:28].[SH:14][CH2:15][CH2:16][OH:17]>>[c:2]1([S:14][CH2:15][CH2:16][OH:17])[c:3]([N+:11](=[O:12])[O-:13])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-f56d90227c214888b53b15cc76a60c32
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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