Acetate → Methyl 5-(3-methoxy-3-oxoprop-1-enyl)-2,3-dimethylindazole-4-carboxylate

HRID 157050Notes

Reaction equation

HRID 157050 reaction equation
[Br:1][c:2]1[c:3]([C:13](=[O:14])[O:15][CH3:16])[c:4]2[c:5]([CH3:12])[n:6]([CH3:11])[n:7][c:8]2[cH:9][cH:10]1.[C:36](=[O:37])([O-:38])[O-:39].[C:42]([CH:43]=[CH2:44])(=[O:45])[O:46][CH3:47].[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[K+:40].[K+:41].[Pd+2:57].[c:17]1([P:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[c:2]1([CH:44]=[CH:43][C:42](=[O:45])[O:46][CH3:47])[c:3]([C:13](=[O:14])[O:15][CH3:16])[c:4]2[c:5]([CH3:12])[n:6]([CH3:11])[n:7][c:8]2[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 7294Methyl AcrylateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 59145921methyl 5-bromo-2,3-dimethyl-2H-indazole-4-carboxylate

Product 1

HCID 68699294Methyl 5-(3-methoxy-3-oxoprop-1-enyl)-2,3-dimethylindazole-4-carboxylate

Sources & evidence

ORD record
ord-be731a6940504e3ead6b6753b1f35364
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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