Acetate → 5-Phenylethynyl-2-ureido-thiophene-3-carboxylic Acid Amide

HRID 123943Notes

Reaction equation

HRID 123943 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:11](=[O:12])[NH2:13])[c:5]([NH:7][C:8](=[O:9])[NH2:10])[s:6]1.[C:37]([O-:38])(=[O:39])[CH3:40].[C:42]([O-:43])(=[O:44])[CH3:45].[CH2:14]([N:15]([CH2:16][CH3:17])[CH2:18][CH3:19])[CH3:20].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cu:35][I:36].[O:30]=[CH:31][N:32]([CH3:33])[CH3:34].[OH2:29].[Pd+2:41].[c:21]1([C:27]#[CH:28])[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[c:2]1([C:28]#[C:27][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:3][c:4]([C:11](=[O:12])[NH2:13])[c:5]([NH:7][C:8](=[O:9])[NH2:10])[s:6]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 10821PhenylacetyleneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 111846265-Bromo-2-ureidothiophene-3-carboxamide

Product 1

HCID 100167795-Phenylethynyl-2-ureido-thiophene-3-carboxylic Acid Amide

Sources & evidence

ORD record
ord-e415579b6e684ca092f9e74a2f43ce54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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