Methanol → 3-[3'-(3-Heptyl-1-methylureido)-2-(3-methylbutoxy)biphenyl-4-yl]propanoic acid
반응식
[CH2:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9])[NH:10][C:11]([N:12]([CH3:13])[c:14]1[cH:15][c:16](-[c:20]2[c:21]([O:32][CH2:33][CH2:34][CH:35]([CH3:36])[CH3:37])[cH:22][c:23]([CH2:26][CH2:27][C:28](=[O:29])[O:30][CH3:31])[cH:24][cH:25]2)[cH:17][cH:18][cH:19]1)=[O:38].[CH3:39][OH:40].[Na+:2].[OH-:1]>>[CH2:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9])[NH:10][C:11]([N:12]([CH3:13])[c:14]1[cH:15][c:16](-[c:20]2[c:21]([O:32][CH2:33][CH2:34][CH:35]([CH3:36])[CH3:37])[cH:22][c:23]([CH2:26][CH2:27][C:28](=[O:29])[OH:30])[cH:24][cH:25]2)[cH:17][cH:18][cH:19]1)=[O:38]참가 물질
5
출처 및 근거
- ORD 기록
- ord-09a533e7327743fbb68d5b47cd54afb0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)