Sodium ion → 4'-({4-[4-(1,1-Dimethyl-2-oxoethoxy)phenyl]-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile
Reaction equation
[CH2:55]([Cl:56])[Cl:57].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Na+:53].[Na+:54].[OH2:47].[OH:1][CH2:2][C:3]([O:4][c:5]1[cH:6][cH:7][c:8](-[n:11]2[c:12]3[n:13]([c:14]([CH2:33][CH2:34][CH3:35])[c:15]([CH2:18][c:19]4[cH:20][cH:21][c:22](-[c:25]5[c:26]([C:31]#[N:32])[cH:27][cH:28][cH:29][cH:30]5)[cH:23][cH:24]4)[c:16]2=[O:17])[n:36][cH:37][n:38]3)[cH:9][cH:10]1)([CH3:39])[CH3:40].[S:48]([O-:49])([O-:50])(=[O:51])=[S:52]>>[O: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]([CH2:33][CH2:34][CH3:35])[c:15]([CH2:18][c:19]4[cH:20][cH:21][c:22](-[c:25]5[c:26]([C:31]#[N:32])[cH:27][cH:28][cH:29][cH:30]5)[cH:23][cH:24]4)[c:16]2=[O:17])[n:36][cH:37][n:38]3)[cH:9][cH:10]1)([CH3:39])[CH3:40]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-00b59897ed57481b928058f2ed9dfb33
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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