4-(Propane-2-sulfonyl)benzoic acid → HCID 58614794, 화합물
반응식
[CH:15]([CH3:16])([CH3:17])[S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]1.[Cl:1][c:2]1[c:3](-[c:9]2[n:10][cH:11][cH:12][cH:13][cH:14]2)[cH:4][c:5]([NH2:6])[cH:7][cH:8]1>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10][cH:11][cH:12][cH:13][cH:14]2)[cH:4][c:5]([NH:6][C:25]([c:24]2[cH:23][cH:22][c:21]([S:18]([CH:15]([CH3:16])[CH3:17])(=[O:19])=[O:20])[cH:29][cH:28]2)=[O:26])[cH:7][cH:8]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-42de6c5eea844fd2806d372b1e6f477c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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