Bicarbonate Ion → 4'-[(4-{cis-4-[1-(1-Hydroxycyclobutyl)ethoxy]cyclohexyl}-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrile

HRID 1122063Notes

Reaction equation

HRID 1122063 reaction equation
[C:1](=[O:2])([CH3:3])[C:4]1([CH:8]([CH3:9])[O:10][CH:11]2[CH2:12][CH2:13][CH:14]([n:17]3[c:18]4[n:19]([c:20]([CH2:39][CH2:40][CH3:41])[c:21]([CH2:24][c:25]5[cH:26][cH:27][c:28](-[c:31]6[c:32]([C:37]#[N:38])[cH:33][cH:34][cH:35][cH:36]6)[cH:29][cH:30]5)[c:22]3=[O:23])[n:42][cH:43][n:44]4)[CH2:15][CH2:16]2)[CH2:5][CH2:6][CH2:7]1.[C:60](=[O:61])([O-:62])[OH:63].[CH:72]([Cl:73])([Cl:74])[Cl:75].[F:47][C:48]([F:49])([F:51])[C:52](=[O:50])[O:53][C:54](=[O:55])[C:56]([F:57])([F:58])[F:59].[Na+:64].[Na+:70].[Na+:71].[OH:45][OH:46].[S:65]([O-:66])([O-:67])(=[O:68])=[S:69]>>[C:4]1([CH:8]([CH3:9])[O:10][CH:11]2[CH2:12][CH2:13][CH:14]([n:17]3[c:18]4[n:19]([c:20]([CH2:39][CH2:40][CH3:41])[c:21]([CH2:24][c:25]5[cH:26][cH:27][c:28](-[c:31]6[c:32]([C:37]#[N:38])[cH:33][cH:34][cH:35][cH:36]6)[cH:29][cH:30]5)[c:22]3=[O:23])[n:42][cH:43][n:44]4)[CH2:15][CH2:16]2)([OH:50])[CH2:5][CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 784Hydrogen PeroxideHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6212ChloroformHCID 9845Trifluoroacetic anhydrideHCID 670091324'-[(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]biphenyl-2-carbonitrile

Product 1

HCID 670089884'-[(4-{cis-4-[1-(1-Hydroxycyclobutyl)ethoxy]cyclohexyl}-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-98c6d7ba2ca343dcbdd0ecb5a45acb58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…