Potassium Cation → 5-(3-Bromo-1,2,4-thiadiazol-5-yl)-2-(2-methylpropyl)benzonitrile

HRID 1222325Notes

Reaction equation

HRID 1222325 reaction equation
[Br:22][c:23]1[n:24][s:25][c:26]([Cl:28])[n:27]1.[CH3:1][CH:2]([CH2:3][c:4]1[c:5]([C:6]#[N:7])[cH:8][c:9]([B:12]2[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]2)[cH:10][cH:11]1)[CH3:21].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[K+:34].[K+:35].[K+:36].[OH2:42].[P:29]([O-:30])([O-:31])([O-:32])=[O:33]>>[CH3:1][CH:2]([CH2:3][c:4]1[c:5]([C:6]#[N:7])[cH:8][c:9](-[c:26]2[s:25][n:24][c:23]([Br:22])[n:27]2)[cH:10][cH:11]1)[CH3:21]

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 27250533-Bromo-5-chloro-1,2,4-thiadiazoleHCID 51358167Benzonitrile, 2-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Product 1

HCID 669817585-(3-Bromo-1,2,4-thiadiazol-5-yl)-2-(2-methylpropyl)benzonitrile

Sources & evidence

ORD record
ord-c8c5331790fc46cbb63b8d9d114f6381
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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