Sodium Ion → 2'-Methyl-5'-(4-morpholin-4-yl-benzoylamino)-biphenyl-4-carboxylic acid
반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9](-[c:12]2[c:13]([CH3:33])[cH:14][cH:15][c:16]([NH:18][C:19]([c:20]3[cH:21][cH:22][c:23]([N:26]4[CH2:27][CH2:28][O:29][CH2:30][CH2:31]4)[cH:24][cH:25]3)=[O:32])[cH:17]2)[cH:10][cH:11]1.[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[Na+:40].[OH-:39]>>[O:3]=[C:4]([OH:5])[c:6]1[cH:7][cH:8][c:9](-[c:12]2[c:13]([CH3:33])[cH:14][cH:15][c:16]([NH:18][C:19]([c:20]3[cH:21][cH:22][c:23]([N:26]4[CH2:27][CH2:28][O:29][CH2:30][CH2:31]4)[cH:24][cH:25]3)=[O:32])[cH:17]2)[cH:10][cH:11]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-8fc54f75afe142658e3ec047e20a1bbb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)