Dimethyl Sulfoxide → 2-(2,4-Dichlorophenyl)-2-[(1,2,4-triazol-1-yl)methyl]butyramide

HRID 317482Notes

Reaction equation

HRID 317482 reaction equation
[CH3:20][S:21](=[O:22])[CH3:23].[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[Cl:1][c:2]1[c:3]([C:9]([C:10]#[N:11])([CH2:12][n:13]2[n:14][cH:15][n:16][cH:17]2)[CH2:18][CH3:19])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Na+:26].[OH-:25].[OH2:24]>>[Cl:1][c:2]1[c:3]([C:9]([C:10]([NH2:11])=[O:22])([CH2:12][n:13]2[n:14][cH:15][n:16][cH:17]2)[CH2:18][CH3:19])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8058HexaneHCID 8857Ethyl AcetateHCID 54422114alpha-(2,4-dichlorophenyl)-alpha-ethyl-1H-1,2,4-triazole-1-propanenitrile

Product 1

HCID 199569642-(2,4-Dichlorophenyl)-2-[(1,2,4-triazol-1-yl)methyl]butyramide

Sources & evidence

ORD record
ord-a5c0c3b5ac3647bca3f61b7cd8e8db04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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