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

HRID 2335860Notes

Reaction equation

HRID 2335860 reaction equation
[Br-:46].[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][c:11]([F:40])[c:12]([CH2:15][c:16]3[c:17](=[O:39])[n:18]([CH:29]4[CH2:30][CH:31]([C:33](=[O:34])[N:35]([O:36][CH3:37])[CH3:38])[CH2:32]4)[c:19]4[n:20]([c:21]3[CH2:22][CH2:23][CH3:24])[n:25][c:26]([CH3:28])[n:27]4)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1.[CH3:47][Mg+:48].[Cl-:54].[NH4+:55].[O:41]1[CH2:42][CH2:45][CH2:44][CH2:43]1.[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][c:11]([F:40])[c:12]([CH2:15][c:16]3[c:17](=[O:39])[n:18]([CH:29]4[CH2:30][CH:31]([C:33](=[O:34])[CH3:42])[CH2:32]4)[c:19]4[n:20]([c:21]3[CH2:22][CH2:23][CH3:24])[n:25][c:26]([CH3:28])[n:27]4)[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 8028Tetrahydrofuran2×HCID 86644056cis-3-{6-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-2-methyl-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}-N-methoxy-N-methylcyclobutanecarboxamideHCID 178477777HCID 178477777, compound

Product 1

HCID 670100184'-{[4-(cis-3-Acetylcyclobutyl)-2-methyl-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}-3'-fluorobiphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-513d1c96a32a4201b49dd3178b0c9b13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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