Bicarbonate Ion → 4'-({7-Butyl-4-[trans-4-(2-hydroxy-1,2-dimethylpropoxy)cyclohexyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile
Reaction equation
[C:42](=[O:43])([O-:44])[OH:45].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:27][c:28]2[cH:29][cH:30][c:31](-[c:34]3[c:35]([C:40]#[N:41])[cH:36][cH:37][cH:38][cH:39]3)[cH:32][cH:33]2)[c:7](=[O:26])[n:8]([CH:14]2[CH2:15][CH2:16][CH:17]([O:20][CH:21]([CH:22]([CH3:23])[OH:24])[CH3:25])[CH2:18][CH2:19]2)[c:9]2[n:10]1[n:11][cH:12][n:13]2.[CH3:54][C:55]#[N:56].[Na+:46].[Na+:52].[Na+:53].[S:47]([O-:48])([O-:49])(=[O:50])=[S:51]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:27][c:28]2[cH:29][cH:30][c:31](-[c:34]3[c:35]([C:40]#[N:41])[cH:36][cH:37][cH:38][cH:39]3)[cH:32][cH:33]2)[c:7](=[O:26])[n:8]([CH:14]2[CH2:15][CH2:16][CH:17]([O:20][CH:21]([C:22]([CH3:23])([OH:24])[CH3:42])[CH3:25])[CH2:18][CH2:19]2)[c:9]2[n:10]1[n:11][cH:12][n:13]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-fcfd21ae2d66489db7684992aa430c02
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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