Acetate → 5-(6-Methoxycarbonyl-2,2-dimethyl-2,3-dihydro-benzofuran-4-yloxy)-pyridine-2-carboxylic acid tert-butyl ester

HRID 1543113Notes

Reaction equation

HRID 1543113 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[n:6][cH:7]1.[CH3:15][O:16][C:17](=[O:18])[c:19]1[cH:20][c:21]2[c:22]([c:28]([OH:30])[cH:29]1)[CH2:23][C:24]([CH3:26])([CH3:27])[O:25]2.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[K+:36].[K+:37].[K+:38].[O-:47][C:48]([CH3:49])=[O:50].[O-:51][C:52]([CH3:53])=[O:54].[P:31]([O-:32])([O-:33])([O-:34])=[O:35].[Pd+2:46]>>[c:2]1([O:30][c:28]2[c:22]3[c:21]([cH:20][c:19]([C:17]([O:16][CH3:15])=[O:18])[cH:29]2)[O:25][C:24]([CH3:26])([CH3:27])[CH2:23]3)[cH:3][cH:4][c:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[n:6][cH:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 1061PhosphateHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 24997839tert-Butyl 5-bromopyridine-2-carboxylateHCID 25067323Methyl 4-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylate

Product 1

HCID 595603535-(6-Methoxycarbonyl-2,2-dimethyl-2,3-dihydro-benzofuran-4-yloxy)-pyridine-2-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-395115e4133b4a83a6d1853ab229ebf9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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