Sodium Ion → 3-{[1-Methyl-5-(tritylamino)pyrazol-4-yl]amino}-3-oxopropanoic acid
반응식
[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28]([CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])=[O:35])[c:6]1[NH:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[Na+:37].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:36]>>[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28]([CH2:29][C:30](=[O:31])[OH:32])=[O:35])[c:6]1[NH:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-5f9c3fd9c9254281a7f3265d3d9f17c1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)