2-Methanesulfonylbenzoic acid → HCID 59295919, 화합물
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[CH3:22][S:23](=[O:24])(=[O:25])[c:26]1[c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][cH:33][cH:34]1.[NH2:1][CH2:2][CH:3]([CH2:4][CH2:5][N:6]1[CH2:7][CH2:8][CH:9]([O:12][c:13]2[cH:14][c:15]([Cl:20])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:10][CH2:11]1)[OH:21]>>[NH:1]([CH2:2][CH:3]([CH2:4][CH2:5][N:6]1[CH2:7][CH2:8][CH:9]([O:12][c:13]2[cH:14][c:15]([Cl:20])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:10][CH2:11]1)[OH:21])[C:28]([c:27]1[c:26]([S:23]([CH3:22])(=[O:24])=[O:25])[cH:34][cH:33][cH:32][cH:31]1)=[O:29]참가 물질
3
출처 및 근거
- ORD 기록
- ord-13cc9a9b5c0441f0a77df025f1241be6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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