Sodium Ion → 7-[4-cyclohexyl-1-(1-hydroxyethyl)butyl]-2-(3,4-dimethoxybenzyl)-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one
反応式
[BH4-:36].[C:1]([CH3:2])(=[O:3])[CH:4]([CH2:5][CH2:6][CH2:7][CH:8]1[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1)[c:14]1[n:15][c:16]([CH3:35])[c:17]2[c:18](=[O:34])[nH:19][c:20]([CH2:23][c:24]3[cH:25][c:26]([O:32][CH3:33])[c:27]([O:30][CH3:31])[cH:28][cH:29]3)[n:21][n:22]12.[Na+:37]>>[CH:1]([CH3:2])([OH:3])[CH:4]([CH2:5][CH2:6][CH2:7][CH:8]1[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1)[c:14]1[n:15][c:16]([CH3:35])[c:17]2[c:18](=[O:34])[nH:19][c:20]([CH2:23][c:24]3[cH:25][c:26]([O:32][CH3:33])[c:27]([O:30][CH3:31])[cH:28][cH:29]3)[n:21][n:22]12参加物
4
出典と根拠
- ORDレコード
- ord-fd60378ed2d84754b317528b4ac0bc10
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)