Acetone → 1-(2-benzoyl-4-chlorophenyl)-5-(iodomethyl)-1H-1,2,4-triazole-3-carboxylic acid methyl ester

HRID 1114326Notes

Reaction equation

HRID 1114326 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][n:7](-[c:12]2[c:13]([C:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)=[O:26])[cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[c:8]([CH2:10][Cl:11])[n:9]1.[CH3:29][C:30](=[O:31])[CH3:32].[I-:28].[Na+:27]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][n:7](-[c:12]2[c:13]([C:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)=[O:26])[cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[c:8]([CH2:10][I:28])[n:9]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 923Sodium ionHCID 30165Iodide IonHCID 128317251-(2-benzoyl-4-chlorophenyl)-5-(chloromethyl)-1H-1,2,4-triazole-3-carboxylic acid methyl ester

Product 1

HCID 128317261-(2-benzoyl-4-chlorophenyl)-5-(iodomethyl)-1H-1,2,4-triazole-3-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-787a39385c78467eb4bbf9ee60c37e1f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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