Sodium Ion → 2-(3,4-dimethoxybenzyl)-7-[1-(1-hydroxyethyl)-4-phenylbutyl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one
반응식
[BH4-:36].[C:1]([CH3:2])(=[O:3])[CH:4]([CH2:5][CH2:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH: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][c:8]1[cH:9][cH:10][cH:11][cH:12][cH: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]12참가 물질
4
출처 및 근거
- ORD 기록
- ord-e2b9ec5e4cf04683b732ab10b6a0d822
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)