Bicarbonate Ion → 4'-{[4-(trans-3-Hydroxycyclobutyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
Reaction equation
[C:1](=[O:2])([CH3:3])[CH:4]1[CH2:5][CH:6]([n:8]2[c:9]3[n:10]([c:11]([CH2:30][CH2:31][CH3:32])[c:12]([CH2:15][c:16]4[cH:17][cH:18][c:19](-[c:22]5[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]5)[cH:20][cH:21]4)[c:13]2=[O:14])[n:33][cH:34][n:35]3)[CH2:7]1.[C:52](=[O:53])([O-:54])[OH:55].[CH:64]([Cl:65])([Cl:66])[Cl:67].[F:39][C:40]([F:41])([F:43])[C:44](=[O:42])[O:45][C:46](=[O:47])[C:48]([F:49])([F:50])[F:51].[Na+:56].[Na+:62].[Na+:63].[OH2:36].[OH:37][OH:38].[S:57]([O-:58])([O-:59])(=[O:60])=[S:61]>>[CH:4]1([OH:42])[CH2:5][CH:6]([n:8]2[c:9]3[n:10]([c:11]([CH2:30][CH2:31][CH3:32])[c:12]([CH2:15][c:16]4[cH:17][cH:18][c:19](-[c:22]5[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]5)[cH:20][cH:21]4)[c:13]2=[O:14])[n:33][cH:34][n:35]3)[CH2:7]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-66b684c93a774304a88781e6e6682125
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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