Methanol → Alpha-isopropyl-alpha-[3-[N-[3-(3-hydroxymethylphenoxy)propyl]-N-methylamino]propyl]-3,4,5-trimethoxyphenylacetonitrile
反応式
[BH4-:35].[CH3:37][OH:38].[CH:1]([CH3:2])([CH3:3])[C:4]([C:5]#[N:6])([CH2:7][CH2:8][CH2:9][NH:10][CH2:11][CH2:12][CH2:13][O:14][c:15]1[cH:16][c:17]([CH2:21][OH:22])[cH:18][cH:19][cH:20]1)[c:23]1[cH:24][c:25]([O:33][CH3:34])[c:26]([O:31][CH3:32])[c:27]([O:29][CH3:30])[cH:28]1.[Na+:36]>>[CH:1]([CH3:2])([CH3:3])[C:4]([C:5]#[N:6])([CH2:7][CH2:8][CH2:9][N:10]([CH2:11][CH2:12][CH2:13][O:14][c:15]1[cH:16][c:17]([CH2:21][OH:22])[cH:18][cH:19][cH:20]1)[CH3:37])[c:23]1[cH:24][c:25]([O:33][CH3:34])[c:26]([O:31][CH3:32])[c:27]([O:29][CH3:30])[cH:28]1参加物
5
出典と根拠
- ORDレコード
- ord-dc39f01f224144a0a43f7faa3a04a604
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)