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

HRID 150211Notes

Reaction equation

HRID 150211 reaction equation
[Br:19][c:20]1[cH:21][n:22][cH:23][c:24]([C:25](=[O:26])[N:27]=[S:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)(=[O:35])[CH3:36])[cH:37]1.[C:1](#[CH:2])[c:3]1[cH:4][c:5]([NH:9][C:10]([c:11]2[c:12]([CH3:17])[cH:13][cH:14][cH:15][cH:16]2)=[O:18])[cH:6][cH:7][cH:8]1.[CH3:81][CH2:82][O:83][C:84]([CH3:85])=[O:86].[Cu:79][I:80].[Pd:38]([Cl:39])[Cl:40].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[C:1](#[C:2][c:20]1[cH:21][n:22][cH:23][c:24]([C:25](=[O:26])[N:27]=[S:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)(=[O:35])[CH3:36])[cH:37]1)[c:3]1[cH:4][c:5]([NH:9][C:10]([c:11]2[c:12]([CH3:17])[cH:13][cH:14][cH:15][cH:16]2)=[O:18])[cH:6][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 24676237N-(3-ethynylphenyl)-2-methylbenzamideHCID 576578195-bromo-N-[methyl(oxo)phenyl-lambda6-sulfanylidene]nicotinamide

Product 1

HCID 576579255-[2-[3-[(2-methylbenzoyl)amino]phenyl]ethynyl]-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)pyridine-3-carboxamide

Sources & evidence

ORD record
ord-e4e5b4d61be741649ef05623d21445d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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