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

HRID 2315898Notes

Reaction equation

HRID 2315898 reaction equation
[Br:1][c:2]1[c:3]([C:12](=[O:13])[O:14][CH3:15])[c:4]2[cH:5][n:6]([CH3:11])[n:7][c:8]2[cH:9][cH:10]1.[C:35](=[O:36])([O-:37])[O-:38].[C:41]([CH:42]=[CH2:43])(=[O:44])[O:45][CH3:46].[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[K+:39].[K+:40].[OH2:52].[Pd+2:57].[c:16]1([P:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[c:2]1([CH:43]=[CH:42][C:41](=[O:44])[O:45][CH3:46])[c:3]([C:12](=[O:13])[O:14][CH3:15])[c:4]2[cH:5][n:6]([CH3:11])[n:7][c:8]2[cH:9][cH:10]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 7294Methyl AcrylateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 59145918methyl 5-bromo-2-methyl-2H-indazole-4-carboxylate

Product 1

HCID 68699084Methyl 5-(3-methoxy-3-oxoprop-1-enyl)-2-methylindazole-4-carboxylate

Sources & evidence

ORD record
ord-0ca8c0ba8bd74c17b41d729e6a7cbd55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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