Potassium Cation → 2,2-Dimethyl-propionic acid 7-(2-chloro-3,6-difluoro-phenyl)-5-(2-fluoro-ethyl)-6-oxo-5,6-dihydro-pyrido[2,3-b]pyrazin-8-yl ester

HRID 690793Notes

Reaction equation

HRID 690793 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cl:5][c:6]1[c:7](-[c:14]2[c:15]([O:25][C:26]([C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[c:16]3[c:17]([n:18][cH:19][cH:20][n:21]3)[nH:22][c:23]2=[O:24])[c:8]([F:13])[cH:9][cH:10][c:11]1[F:12].[F:1][CH2:2][CH2:3][Br:4].[I-:39].[K+:36].[K+:37].[K+:38]>>[F:1][CH2:2][CH2:3][n:22]1[c:17]2[c:16]([c:15]([O:25][C:26]([C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[c:14](-[c:7]3[c:6]([Cl:5])[c:11]([F:12])[cH:10][cH:9][c:8]3[F:13])[c:23]1=[O:24])[n:21][cH:20][cH:19][n:18]2

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 6228DimethylformamideHCID 129822-Fluoroethyl bromideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 579988432,2-Dimethyl-propionic acid 7-(2-chloro-3,6-difluoro-phenyl)-6-oxo-5,6-dihydro-pyrido[2,3-b]pyrazin-8-yl ester

Product 1

HCID 866430382,2-Dimethyl-propionic acid 7-(2-chloro-3,6-difluoro-phenyl)-5-(2-fluoro-ethyl)-6-oxo-5,6-dihydro-pyrido[2,3-b]pyrazin-8-yl ester

Sources & evidence

ORD record
ord-ab7b677edb16474e918b0fc12bddc8bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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