Acetate → 7-fluoro-6-(2-fluorophenylamino)-3-methyl-3H-imidazo[4,5-b]pyridine-5-carboxylic acid methyl ester

HRID 96845Notes

Reaction equation

HRID 96845 reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([Br:16])[c:7]([F:15])[c:8]2[c:9]([n:10]1)[n:11]([CH3:14])[cH:12][n:13]2.[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[Cs+:29].[Cs+:30].[NH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1[F:24].[O-:45][C:46]([CH3:47])=[O:48].[O-:49][C:50]([CH3:51])=[O:52].[Pd+2:44]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([NH:17][c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[F:24])[c:7]([F:15])[c:8]2[c:9]([n:10]1)[n:11]([CH3:14])[cH:12][n:13]2

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 8857Ethyl AcetateHCID 95842-FluoroanilineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 690048876-bromo-7-fluoro-3-methyl-3H-imidazo[4,5-b]pyridine-5-carboxylic acid methyl ester

Product 1

HCID 690052127-fluoro-6-(2-fluorophenylamino)-3-methyl-3H-imidazo[4,5-b]pyridine-5-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-27df99ef69c34faa9f1df6fa8e8f2409
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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