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

HRID 666324Notes

Reaction equation

HRID 666324 reaction equation
[B:55]([F:56])([F:57])[F:58].[C:59](=[O:60])([O-:61])[OH:62].[CH2:50]([O:51][CH2:52][CH3:53])[CH3:54].[CH3:1][CH:2]1[C:3]2([CH2:4][CH2:5][CH2:6]2)[CH2:7][O:8][C:9]2([O:10]1)[CH2:11][CH2:12][CH:13]([n:16]1[c:17]3[n:18]([c:19]([CH2:38][CH2:39][CH3:40])[c:20]([CH2:23][c:24]4[cH:25][cH:26][c:27](-[c:30]5[c:31]([C:36]#[N:37])[cH:32][cH:33][cH:34][cH:35]5)[cH:28][cH:29]4)[c:21]1=[O:22])[n:41][cH:42][n:43]3)[CH2:14][CH2:15]2.[Mg+2:44].[Na+:63].[O-:45][S:46](=[O:47])(=[O:48])[O-:49].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1>>[CH3:1][CH:2]([C:3]1([CH:7]=[O:8])[CH2:4][CH2:5][CH2:6]1)[O:10][CH:9]1[CH2:11][CH2:12][CH:13]([n:16]2[c:17]3[n:18]([c:19]([CH2:38][CH2:39][CH3:40])[c:20]([CH2:23][c:24]4[cH:25][cH:26][c:27](-[c:30]5[c:31]([C:36]#[N:37])[cH:32][cH:33][cH:34][cH:35]5)[cH:28][cH:29]4)[c:21]2=[O:22])[n:41][cH:42][n:43]3)[CH2:14][CH2:15]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 888Magnesium CationHCID 923Sodium ionHCID 1117Sulfate IonHCID 3283Diethyl EtherHCID 6356Boron trifluorideHCID 8028TetrahydrofuranHCID 670102484'-{[4-(5-Methyl-6,13-dioxadispiro[3.2.5.2]tetradec-10-yl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

Product 1

HCID 866440584'-[(4-{4-[1-(1-Formylcyclobutyl)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-69008a961f4a4ea1a089b6d046493fd6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…