Ethyl Acetate → N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-5-[2-[4-(thiophene-2-carbonylamino)phenyl]ethynyl]pyridine-3-carboxamide

HRID 300888Notes

Reaction equation

HRID 300888 reaction equation
[Br:17][c:18]1[cH:19][n:20][cH:21][c:22]([C:23](=[O:24])[N:25]=[S:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)(=[O:33])[CH3:34])[cH:35]1.[C:1](#[CH:2])[c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[c:12]2[s:13][cH:14][cH:15][cH:16]2)[cH:7][cH:8]1.[CH3:79][CH2:80][O:81][C:82]([CH3:83])=[O:84].[Cu:77][I:78].[Pd:36]([Cl:37])[Cl:38].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[C:1](#[C:2][c:18]1[cH:19][n:20][cH:21][c:22]([C:23](=[O:24])[N:25]=[S:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)(=[O:33])[CH3:34])[cH:35]1)[c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[c:12]2[s:13][cH:14][cH:15][cH:16]2)[cH:7][cH:8]1

Participants

7

Reactant 6

HCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 3411607N-(4-ethynylphenyl)thiophene-2-carboxamideHCID 576578195-bromo-N-[methyl(oxo)phenyl-lambda6-sulfanylidene]nicotinamide

Product 1

HCID 57657961N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-5-[2-[4-(thiophene-2-carbonylamino)phenyl]ethynyl]pyridine-3-carboxamide

Sources & evidence

ORD record
ord-44cd4f41a1d14eb79e6da6039b16a259
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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