Ammonium → 4'-{[4-(cis-3-Acetylcyclobutyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile

HRID 297159Notes

Reaction equation

HRID 297159 reaction equation
[Br-:42].[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][c:16]3[c:17](=[O:38])[n:18]([CH:28]4[CH2:29][CH:30]([C:32]([O:34][CH2:33][CH2:35][CH3:36])=[O:37])[CH2:31]4)[c:19]4[n:20]([c:21]3[CH2:22][CH2:23][CH3:24])[n:25][cH:26][n:27]4)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1.[CH3:43][Mg+:44].[CH3:53][OH:54].[Cl-:45].[ClH:41].[NH4+:46].[Na+:40].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH-:39].[OH2:52]>>[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][c:16]3[c:17](=[O:38])[n:18]([CH:28]4[CH2:29][CH:30]([C:32](=[O:34])[CH3:43])[CH2:31]4)[c:19]4[n:20]([c:21]3[CH2:22][CH2:23][CH3:24])[n:25][cH:26][n:27]4)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1

Participants

12

Reactant 11

HCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 67009019propyl 3-{6-[(2'-cyanobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclobutanecarboxylateHCID 178477777HCID 178477777, compound

Product 1

HCID 670090804'-{[4-(cis-3-Acetylcyclobutyl)-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-7e59931f19414f63971748e60cdb0131
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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