Sodium ion → 2-[4-[[4-[4-[2-(2,6-Dimethylmorpholin-4-yl)ethoxy]cyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]benzonitrile
Reaction equation
[CH3:1][S:2]([O:3][CH2:6][CH2:7][O:8][CH:9]1[CH2:10][CH2:11][CH:12]([n:15]2[c:16]3[n:17]([c:18]([CH2:37][CH2:38][CH3:39])[c:19]([CH2:22][c:23]4[cH:24][cH:25][c:26](-[c:29]5[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]5)[cH:27][cH:28]4)[c:20]2=[O:21])[n:40][cH:41][n:42]3)[CH2:13][CH2:14]1)(=[O:4])=[O:5].[CH3:43][CH:44]1[O:45][CH:46]([CH3:50])[CH2:47][NH:48][CH2:49]1.[I-:52].[Na+:51].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1>>[CH2:6]([CH2:7][O:8][CH:9]1[CH2:10][CH2:11][CH:12]([n:15]2[c:16]3[n:17]([c:18]([CH2:37][CH2:38][CH3:39])[c:19]([CH2:22][c:23]4[cH:24][cH:25][c:26](-[c:29]5[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]5)[cH:27][cH:28]4)[c:20]2=[O:21])[n:40][cH:41][n:42]3)[CH2:13][CH2:14]1)[N:48]1[CH2:47][CH:46]([CH3:50])[O:45][CH:44]([CH3:43])[CH2:49]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-a9ac1cc1fe464ec5ae0d3ab28d279d8c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…