Hydrochloric Acid → 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 173977Notes

Reaction equation

HRID 173977 reaction equation
[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[ClH:40].[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]([CH2:33][CH2:34][CH3:35])[c:15]([CH2:18][c:19]4[cH:20][cH:21][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:36][c:37]([CH3:39])[n:38]3)[CH2:9][CH2:10]2.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[O:4]=[C:5]1[CH2:6][CH2:7][CH:8]([n:11]2[c:12]3[n:13]([c:14]([CH2:33][CH2:34][CH3:35])[c:15]([CH2:18][c:19]4[cH:20][cH:21][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:36][c:37]([CH3:39])[n:38]3)[CH2:9][CH2:10]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 670085484'-{[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}biphenyl-2-carbonitrile

Product 1

HCID 670090384'-{[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-ab6bec9160894d5396ef396146849123
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…