Acetate → 2-Acetylamino-3-(2-[1,3]dioxan-2-yl-3-fluoro-phenyl)-acrylic acid methyl ester

HRID 1213248Notes

Reaction equation

HRID 1213248 reaction equation
[C:25](=[O:26])([OH:27])[O-:28].[CH2:31]([N+:32]([CH2:33][CH2:34][CH2:35][CH3:36])([CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH3:47].[CH3:15][O:16][C:17]([C:18](=[CH2:19])[NH:20][C:21]([CH3:22])=[O:23])=[O:24].[Cl-:30].[F:1][c:2]1[c:3]([CH:9]2[O:10][CH2:11][CH2:12][CH2:13][O:14]2)[c:4]([I:8])[cH:5][cH:6][cH:7]1.[Na+:29].[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[Pd+2:48]>>[F:1][c:2]1[c:3]([CH:9]2[O:10][CH2:11][CH2:12][CH2:13][O:14]2)[c:4]([CH:19]=[C:18]([C:17]([O:16][CH3:15])=[O:24])[NH:20][C:21]([CH3:22])=[O:23])[cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 16028TetrabutylammoniumHCID 98644Methyl 2-acetamidoacrylateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 685501032-(2-Fluoro-6-iodo-phenyl)-[1,3]dioxane

Product 1

HCID 685501862-Acetylamino-3-(2-[1,3]dioxan-2-yl-3-fluoro-phenyl)-acrylic acid methyl ester

Sources & evidence

ORD record
ord-ad643f85d9ca43a091ac81ce144c4c2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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