Sodium ion → 4-[4-(1,1-dimethyl-2-oxopropoxy)phenyl]-6-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one
Reaction equation
[CH2:60]([Cl:61])[Cl:62].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Na+:58].[Na+:59].[OH2:52].[OH:1][CH:2]([C:3]([O:4][c:5]1[cH:6][cH:7][c:8](-[n:11]2[c:12]3[n:13]([c:14]([CH2:37][CH2:38][CH3:39])[c:15]([CH2:18][c:19]4[cH:20][cH:21][c:22](-[c:25]5[c:26](-[c:31]6[n:32][o:33][c:34](=[O:36])[nH:35]6)[cH:27][cH:28][cH:29][cH:30]5)[cH:23][cH:24]4)[c:16]2=[O:17])[n:40][cH:41][n:42]3)[cH:9][cH:10]1)([CH3:43])[CH3:44])[CH3:45].[S:53]([O-:54])([O-:55])(=[O:56])=[S:57]>>[O:1]=[C:2]([C:3]([O:4][c:5]1[cH:6][cH:7][c:8](-[n:11]2[c:12]3[n:13]([c:14]([CH2:37][CH2:38][CH3:39])[c:15]([CH2:18][c:19]4[cH:20][cH:21][c:22](-[c:25]5[c:26](-[c:31]6[n:32][o:33][c:34](=[O:36])[nH:35]6)[cH:27][cH:28][cH:29][cH:30]5)[cH:23][cH:24]4)[c:16]2=[O:17])[n:40][cH:41][n:42]3)[cH:9][cH:10]1)([CH3:43])[CH3:44])[CH3:45]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-360aa90a7f48435fb56c2e4922ff5490
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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