Potassium Cation → HCID 16004910, compound

HRID 187418Notes

Reaction equation

HRID 187418 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]([C:12]#[N:13])[cH:14][cH:15]1)[c:16](=[O:31])[n:17]([CH2:19][c:20]1[c:21]([CH3:30])[n:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]1)[n:18]2.[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:32][O:33][c:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1.[K+:48].[K+:49].[K+:50].[P:43]([O-:44])([O-:45])([O-:46])=[O:47]>>[c:2]1(-[c:37]2[cH:36][cH:35][c:34]([O:33][CH3:32])[cH:39][cH:38]2)[c:3]2[n:4]([cH:5][cH:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]1)[c:16](=[O:31])[n:17]([CH2:19][c:20]1[c:21]([CH3:30])[n:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]1)[n:18]2

Participants

6

Reactant 5

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 8028TetrahydrofuranHCID 201262(4-Methoxyphenyl)boronic acidHCID 690563694-(8-Bromo-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-3-oxo-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzonitrile

Product 1

HCID 16004910HCID 16004910, compound

Sources & evidence

ORD record
ord-d1c8bcf4646348c0a3ee1df15b1be126
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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