Potassium Cation → 2-(4-(7-(4-Chlorophenyl)-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-3-oxo-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)phenyl)acetonitrile

HRID 681186Notes

Reaction equation

HRID 681186 reaction equation
[Br:1][c:2]1[c:3]2[n:4]([cH:5][cH:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[c:15](=[O:30])[n:16]([CH2:18][c:19]1[c:20]([CH3:29])[n:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]1)[n:17]2.[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:31][C:32]1([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37][B:38]([c:39]2[cH:40][cH:41][c:42]([CH2:45][C:46]#[N:47])[cH:43][cH:44]2)[O:48]1.[CH3:62][CH2:63][O:64][C:65]([CH3:66])=[O:67].[K+:54].[K+:55].[K+:56].[P:49]([O-:50])([O-:51])([O-:52])=[O:53]>>[c:2]1(-[c:39]2[cH:40][cH:41][c:42]([CH2:45][C:46]#[N:47])[cH:43][cH:44]2)[c:3]2[n:4]([cH:5][cH:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[c:15](=[O:30])[n:16]([CH2:18][c:19]1[c:20]([CH3:29])[n:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]1)[n:17]2

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 38429222-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrileHCID 577994058-bromo-7-(4-chlorophenyl)-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Product 1

HCID 160052022-(4-(7-(4-Chlorophenyl)-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-3-oxo-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)phenyl)acetonitrile

Sources & evidence

ORD record
ord-98740c1b98594ad9aa24ba96765f24cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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