Acetate → 3-(4-Fluoro-2-methylsulfanyl-phenyl)-acrylic acid methyl ester

HRID 1566699Notes

Reaction equation

HRID 1566699 reaction equation
[C:17]([CH:18]=[CH2:19])(=[O:20])[O:21][CH3:22].[CH2:26]([N+:27]([CH2:28][CH2:29][CH2:30][CH3:31])([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH3:42].[Cl-:25].[F:1][c:2]1[cH:3][c:4]([S:9][CH3:10])[c:5]([I:8])[cH:6][cH:7]1.[K+:11].[K+:12].[N:23]#[N:24].[O-:13][C:14]([O-:15])=[O:16].[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:57].[Pd+2:48]>>[F:1][c:2]1[cH:3][c:4]([S:9][CH3:10])[c:5]([CH:19]=[CH:18][C:17](=[O:20])[O:21][CH3:22])[cH:6][cH:7]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 312ChlorideHCID 813Potassium Cation2×HCID 947NitrogenHCID 962WaterHCID 6228DimethylformamideHCID 7294Methyl AcrylateHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 58127007(5-Fluoro-2-iodophenyl)(methyl)sulfane

Product 1

HCID 669225163-(4-Fluoro-2-methylsulfanyl-phenyl)-acrylic acid methyl ester

Sources & evidence

ORD record
ord-0209ccc0e8c3432fbe622a9c142fb25c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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