Acetate → 4,2'-Difluoro-5'-(3-methyl-4-oxo-3,4-dihydroimidazo[2,1-f][1,2,4] triazin-7-yl)biphenyl-2-carbonitrile

HRID 1225643Notes

Reaction equation

HRID 1225643 reaction equation
[Br:12][c:13]1[cH:14][cH:15][c:16]([F:28])[c:17](-[c:19]2[c:20]([C:26]#[N:27])[cH:21][c:22]([F:25])[cH:23][cH:24]2)[cH:18]1.[CH3:1][n:2]1[cH:3][n:4][n:5]2[c:6]([c:7]1=[O:8])[n:9][cH:10][cH:11]2.[CH3:30][C:31](=[O:32])[O-:33].[CH3:53][N:54]([CH3:55])[C:56](=[O:57])[CH3:58].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[K+:29].[O-:66][C:67]([CH3:68])=[O:69].[O-:70][C:71]([CH3:72])=[O:73].[Pd+2:65].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH3:1][n:2]1[cH:3][n:4][n:5]2[c:6]([c:7]1=[O:8])[n:9][cH:10][c:11]2-[c:13]1[cH:14][cH:15][c:16]([F:28])[c:17](-[c:19]2[c:20]([C:26]#[N:27])[cH:21][c:22]([F:25])[cH:23][cH:24]2)[cH:18]1

Participants

9

Reactant 8

HCID 175Acetate3×HCID 813Potassium CationHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 31374DimethylacetamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 114151595'-Bromo-2',4-difluoro-[1,1'-biphenyl]-2-carbonitrileHCID 116223593-methyl-3H-imidazo[2,1-f][1,2,4]triazin-4-one

Product 1

HCID 98419394,2'-Difluoro-5'-(3-methyl-4-oxo-3,4-dihydroimidazo[2,1-f][1,2,4] triazin-7-yl)biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-38a46210d04b44a8802938d64322bf35
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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