Bicarbonate Ion → 4-[4-(3-Isopropyl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-6-(4-methanesulfonyl-phenoxy)-2-methyl-pyrimidine-5-carbonitrile
Reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[C:42](=[O:43])([OH:44])[O-:45].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH:22]([CH3:23])([CH3:24])[c:25]1[n:26][o:27][c:28]([CH:30]2[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]2)[n:29]1.[Cl:1][c:2]1[n:3][c:4]([CH3:21])[n:5][c:6]([O:10][c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:15][cH:16]2)[c:7]1[C:8]#[N:9].[K+:40].[K+:41].[Na+:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[c:2]1([N:33]2[CH2:32][CH2:31][CH:30]([c:28]3[o:27][n:26][c:25]([CH:22]([CH3:23])[CH3:24])[n:29]3)[CH2:35][CH2:34]2)[n:3][c:4]([CH3:21])[n:5][c:6]([O:10][c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:15][cH:16]2)[c:7]1[C:8]#[N:9]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-fb71c1942ce74144a814df604e640fa6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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