Acetate → 3-(3-Fluoro-4-formyl-phenyl)-acrylic acid tert-butyl ester

HRID 304154Notes

Reaction equation

HRID 304154 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:10])[c:5]([CH:6]=[O:7])[cH:8][cH:9]1.[C:35]([CH:36]=[CH2:37])(=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[Na+:34].[O-:30][C:31]([OH:32])=[O:33].[O-:58][C:59]([CH3:60])=[O:61].[O-:62][C:63]([CH3:64])=[O:65].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:56].[Pd+2:57].[c:11]1([P:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[c:2]1([CH:37]=[CH:36][C:35](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[cH:3][c:4]([F:10])[c:5]([CH:6]=[O:7])[cH:8][cH:9]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 15458tert-Butyl acrylateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1435174-Bromo-2-fluorobenzaldehyde

Product 1

HCID 862350533-(3-Fluoro-4-formyl-phenyl)-acrylic acid tert-butyl ester

Sources & evidence

ORD record
ord-390aa0254e734e559bca012b85571b8c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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