Potassium Cation → 3-Bromo-5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-thiadiazole

HRID 93688Notes

Reaction equation

HRID 93688 reaction equation
[Br:1][c:2]1[n:3][s:4][c:5]([Cl:7])[n:6]1.[CH3:30][N:31]([CH3:32])[CH:33]=[O:34].[Cl:8][c:9]1[cH:10][c:11]([B:19]([OH:20])[OH:21])[cH:12][cH:13][c:14]1[O:15][CH:16]([CH3:17])[CH3:18].[K+:27].[K+:28].[K+:29].[OH2:35].[P:22]([O-:23])([O-:24])([O-:25])=[O:26]>>[Br:1][c:2]1[n:3][s:4][c:5](-[c:11]2[cH:10][c:9]([Cl:8])[c:14]([O:15][CH:16]([CH3:17])[CH3:18])[cH:13][cH:12]2)[n:6]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6228DimethylformamideHCID 27250533-Bromo-5-chloro-1,2,4-thiadiazoleHCID 33824673-Chloro-4-isopropoxyphenylboronic acid

Product 1

HCID 584940863-Bromo-5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-thiadiazole

Sources & evidence

ORD record
ord-97c1395d475d406a9844f050d31bfecf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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