Dimethyl Sulfoxide → 5-chloro-N-((1-(4-(4-ethyl-2,3-dioxopiperazin-1-yl)phenyl)-1H-imidazol-4-yl)methyl)thiophene-2-carboxamide

HRID 160157Notes

Reaction equation

HRID 160157 reaction equation
[CH2:23]([CH3:24])[N:25]1[C:26](=[O:32])[C:27](=[O:31])[NH:28][CH2:29][CH2:30]1.[CH3:33][NH:34][CH2:35][CH2:36][NH:37][CH3:38].[CH3:45][S:46]([CH3:47])=[O:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[n:12][cH:13][n:14](-[c:16]3[cH:17][cH:18][c:19]([I:22])[cH:20][cH:21]3)[cH:15]2)[s:6]1.[Cu:55][I:56].[K+:39].[K+:40].[O-:41][C:42]([O-:43])=[O:44].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[n:12][cH:13][n:14](-[c:16]3[cH:17][cH:18][c:19]([N:28]4[C:27](=[O:31])[C:26](=[O:32])[N:25]([CH2:23][CH3:24])[CH2:30][CH2:29]4)[cH:20][cH:21]3)[cH:15]2)[s:6]1

Participants

9

Reactant 8

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 8070N,N'-DimethylethylenediamineHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 1088121-Ethyl-2,3-piperazinedioneHCID 249868975-Chloro-N-((1-(4-iodophenyl)-1H-imidazol-4-yl)methyl)thiophene-2-carboxamide

Product 1

HCID 247602315-chloro-N-((1-(4-(4-ethyl-2,3-dioxopiperazin-1-yl)phenyl)-1H-imidazol-4-yl)methyl)thiophene-2-carboxamide

Sources & evidence

ORD record
ord-c14ab22b5b5741ed9b97d9ae6ce9f56e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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