Ethanol → 3-[(5-Amino-2-phenoxy-pyridin-4-ylmethyl)-amino]-3-cyclohexyl-N-(3,3-dimethyl-butyl)-propionamide
反応式
[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][CH2:43][OH:44].[CH:1]1([CH:7]([CH2:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][C:14]([CH3:15])([CH3:16])[CH3:17])[NH:18][CH2:19][c:20]2[cH:21][c:22]([O:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[n:23][cH:24][c:25]2[N+:26]([O-:27])=[O:28])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[CH:1]1([CH:7]([CH2:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][C:14]([CH3:15])([CH3:16])[CH3:17])[NH:18][CH2:19][c:20]2[cH:21][c:22]([O:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[n:23][cH:24][c:25]2[NH2:26])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1参加物
4
出典と根拠
- ORDレコード
- ord-c3280db1025d498cacbd3ffde8a60775
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)