Sodium ion → 3-[4-(2-Chloroethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]1)[C:18](=[O:19])[OH:20].[H-:21].[Na+:22].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:42].[S:23]([c:25]1[cH:26][cH:27][c:28]([CH3:29])[cH:30][cH:31]1)(=[O:32])([CH:33]([OH:24])[CH2:34][Cl:35])=[O:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH2:33][CH2:34][Cl:35])[cH:15][cH:16]1)[C:18](=[O:19])[OH:20]참가 물질
7
출처 및 근거
- ORD 기록
- ord-1143bc9723ee41a8bef2c96abd660719
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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