Sodium ion → 5-(4-chloro-alpha-methylbenzyl)-3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole

HRID 319387Notes

Reaction equation

HRID 319387 reaction equation
[CH3:25][I:26].[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8][c:9](-[c:13]3[c:14]([Cl:20])[cH:15][cH:16][cH:17][c:18]3[F:19])[n:10][n:11]2[CH3:12])[cH:21][cH:22]1.[H-:23].[Na+:24].[OH2:27]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:6]([c:7]2[n:8][c:9](-[c:13]3[c:14]([Cl:20])[cH:15][cH:16][cH:17][c:18]3[F:19])[n:10][n:11]2[CH3:12])[CH3:25])[cH:21][cH:22]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6328Methyl iodideHCID 166653HydrideHCID 154110235-(4-chlorobenzyl)-3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole

Product 1

HCID 539282005-(4-chloro-alpha-methylbenzyl)-3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole

Sources & evidence

ORD record
ord-536c59eb8b6943d9bcaad6e92fda74a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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