Sodium Ion → 3-[3-Butoxy-4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-methoxyprop-2-enoic acid
반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[c:7](-[c:20]2[cH:21][c:22]([N:26]([C:27](=[O:28])[NH:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[CH3:37])[cH:23][cH:24][cH:25]2)[cH:8][cH:9][c:10]([CH:12]=[C:13]([C:14](=[O:15])[O:16][CH3:17])[O:18][CH3:19])[cH:11]1.[Na+:39].[OH-:38]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[c:7](-[c:20]2[cH:21][c:22]([N:26]([C:27](=[O:28])[NH:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[CH3:37])[cH:23][cH:24][cH:25]2)[cH:8][cH:9][c:10]([CH:12]=[C:13]([C:14](=[O:15])[OH:16])[O:18][CH3:19])[cH:11]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-19774633a476470381069673a30c420d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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