Acetic Acid → 2-[(5-chloro-2-phenylphenyl)sulfonylamino]-5-(3-oxo-1H-isoindol-2-yl)pentanoic acid
반응식
[CH3:37][C:38](=[O:39])[OH:40].[CH:27]([c:28]1[c:29]([CH:30]=[O:31])[cH:32][cH:33][cH:34][cH:35]1)=[O:36].[Cl:2][c:3]1[cH:4][c:5]([S:15](=[O:16])(=[O:17])[NH:18][CH:19]([C:20](=[O:21])[OH:22])[CH2:23][CH2:24][CH2:25][NH2:26])[c:6](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:7][cH:8]1.[ClH:1]>>[Cl:2][c:3]1[cH:4][c:5]([S:15](=[O:16])(=[O:17])[NH:18][CH:19]([C:20](=[O:21])[OH:22])[CH2:23][CH2:24][CH2:25][N:26]2[CH2:27][c:28]3[c:29]([cH:32][cH:33][cH:34][cH:35]3)[C:30]2=[O:31])[c:6](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:7][cH:8]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-630aa14e6a844db7a1ed4917b01d6223
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)