Acetate → 4-(2-Fluoro-4-methylphenylamino)-1,2,5-trimethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid ethyl ester

HRID 1566249Notes

Reaction equation

HRID 1566249 reaction equation
[C:10](=[O:11])([O-:12])[O-:13].[CH2:16]([CH3:17])[O:18][C:19](=[O:20])[c:21]1[c:22]([CH3:31])[n:23]([CH3:30])[c:24](=[O:29])[c:25]([CH3:28])[c:26]1[Cl:27].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[Cs+:14].[Cs+:15].[F:1][c:2]1[c:3]([NH2:9])[cH:4][cH:5][c:6]([CH3:8])[cH:7]1.[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[Pd+2:45]>>[F:1][c:2]1[c:3]([NH:9][c:26]2[c:21]([C:19]([O:18][CH2:16][CH3:17])=[O:20])[c:22]([CH3:31])[n:23]([CH3:30])[c:24](=[O:29])[c:25]2[CH3:28])[cH:4][cH:5][c:6]([CH3:8])[cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 679842-Fluoro-4-methylanilineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 666739724-Chloro-1,2,5-trimethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid ethyl ester

Product 1

HCID 666746314-(2-Fluoro-4-methylphenylamino)-1,2,5-trimethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-90fa8e6f4f2448e68ca7cee4e54e0b90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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