Hydrochloric Acid → 2'-Methyl-4'-{[2-methyl-5-oxo-4-(4-oxocyclohexyl)-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

HRID 2320198Notes

Reaction equation

HRID 2320198 reaction equation
[ClH:41].[Na+:43].[O:1]1[CH2:3][CH2:2][O:4][C:5]12[CH2:6][CH2:7][CH:8]([n:11]1[c:12]3[n:13]([c:14]([CH2:34][CH2:35][CH3:36])[c:15]([CH2:18][c:19]4[cH:20][c:21]([CH3:33])[c:22](-[c:25]5[c:26]([C:31]#[N:32])[cH:27][cH:28][cH:29][cH:30]5)[cH:23][cH:24]4)[c:16]1=[O:17])[n:37][c:38]([CH3:40])[n:39]3)[CH2:9][CH2:10]2.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH-:42]>>[O:4]=[C:5]1[CH2:6][CH2:7][CH:8]([n:11]2[c:12]3[n:13]([c:14]([CH2:34][CH2:35][CH3:36])[c:15]([CH2:18][c:19]4[cH:20][c:21]([CH3:33])[c:22](-[c:25]5[c:26]([C:31]#[N:32])[cH:27][cH:28][cH:29][cH:30]5)[cH:23][cH:24]4)[c:16]2=[O:17])[n:37][c:38]([CH3:40])[n:39]3)[CH2:9][CH2:10]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 670102754'-{[4-(1,4-Dioxaspiro[4.5]dec-8-yl)-2-methyl-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}-2'-methylbiphenyl-2-carbonitrile

Product 1

HCID 670096082'-Methyl-4'-{[2-methyl-5-oxo-4-(4-oxocyclohexyl)-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-f178b0f764e142a48778614b50e4eee5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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