Potassium Cation → 3-biphenyl-4-yl-4-(2-fluorophenyl)-5-methylsulfanyl-4H-1,2,4-triazole

HRID 87455Notes

Reaction equation

HRID 87455 reaction equation
[C:28](=[O:29])([O-:30])[O-:31].[CH3:26][I:27].[CH3:35][C:36]#[N:37].[K+:32].[K+:33].[OH2:34].[c:1]1(-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:2][cH:3][c:4](-[c:7]2[n:8](-[c:13]3[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]3)[c:9]([SH:12])[n:10][n:11]2)[cH:5][cH:6]1>>[c:1]1(-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:2][cH:3][c:4](-[c:7]2[n:8](-[c:13]3[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]3)[c:9]([S:12][CH3:28])[n:10][n:11]2)[cH:5][cH:6]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6328Methyl iodideHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 178419067HCID 178419067, compound

Product 1

HCID 220192353-biphenyl-4-yl-4-(2-fluorophenyl)-5-methylsulfanyl-4H-1,2,4-triazole

Sources & evidence

ORD record
ord-0dba5a2d0f8449b8b9d884d2cd969ae7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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