Bicarbonate Ion → 4'-[(4-{4-[1-(1-Acetylcyclobutyl)ethoxy]cyclohexyl]-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl}-3'-fluorobiphenyl-2-carbonitrile
Reaction equation
[C:46](=[O:47])([O-:48])[OH:49].[CH3:58][C:59]#[N:60].[F:1][c:2]1[cH:3][c:4](-[c:38]2[c:39]([C:44]#[N:45])[cH:40][cH:41][cH:42][cH:43]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:37])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([O:27][CH:28]([CH3:29])[C:30]3([CH:34]([CH3:35])[OH:36])[CH2:31][CH2:32][CH2:33]3)[CH2:25][CH2:26]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2.[Na+:50].[Na+:56].[Na+:57].[S:51]([O-:52])([O-:53])(=[O:54])=[S:55]>>[F:1][c:2]1[cH:3][c:4](-[c:38]2[c:39]([C:44]#[N:45])[cH:40][cH:41][cH:42][cH:43]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:37])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([O:27][CH:28]([CH3:29])[C:30]3([C:34]([CH3:35])=[O:36])[CH2:31][CH2:32][CH2:33]3)[CH2:25][CH2:26]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-62bff8390c594dee8a6b0509149e3027
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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