Hydrochloric Acid → (4-{1-Ethyl-1-[4-(2-ethyl-2-hydroxy-butoxy)-3-methyl-phenyl]-propyl}-2-methyl-benzoylamino)-acetic acid methyl ester
反応式
[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:20])[c:9]([O:12][CH2:13][C:14]([CH2:15][CH3:16])([OH:17])[CH2:18][CH3:19])[cH:10][cH:11]1)[c:21]1[cH:22][c:23]([CH3:30])[c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]1.[CH3:32][O:33][C:34]([CH2:35][NH2:36])=[O:37].[ClH:31]>>[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:20])[c:9]([O:12][CH2:13][C:14]([CH2:15][CH3:16])([OH:17])[CH2:18][CH3:19])[cH:10][cH:11]1)[c:21]1[cH:22][c:23]([CH3:30])[c:24]([C:25](=[O:26])[NH:36][CH2:35][C:34]([O:33][CH3:32])=[O:37])[cH:28][cH:29]1参加物
4
出典と根拠
- ORDレコード
- ord-c86f9048deb34a49a5382107bbbe0293
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)