Acetate → 3-[4-[2-(4-Fluorophenyl)ethenyl]phenyl]sulfonylpropanenitrile

HRID 189350Notes

Reaction equation

HRID 189350 reaction equation
[Br:15][c:16]1[cH:17][cH:18][c:19]([S:22](=[O:23])(=[O:24])[CH2:25][CH2:26][C:27]#[N:28])[cH:20][cH:21]1.[CH3:29][N:30]1[CH2:31][CH2:32][CH2:33][C:34]1=[O:35].[CH3:2][C:3](=[O:4])[O-:5].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[F:6][c:7]1[cH:8][cH:9][c:10]([CH:11]=[CH2:12])[cH:13][cH:14]1.[Na+:1].[O-:44][C:45]([CH3:46])=[O:47].[O-:48][C:49]([CH3:50])=[O:51].[OH2:36].[Pd+2:43]>>[F:6][c:7]1[cH:8][cH:9][c:10]([CH:11]=[CH:12][c:16]2[cH:17][cH:18][c:19]([S:22](=[O:23])(=[O:24])[CH2:25][CH2:26][C:27]#[N:28])[cH:20][cH:21]2)[cH:13][cH:14]1

Participants

9

Reactant 8

HCID 175Acetate3×HCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 678834-FluorostyreneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 20497813-((4-Bromophenyl)sulfonyl)propanenitrile

Product 1

HCID 685345043-[4-[2-(4-Fluorophenyl)ethenyl]phenyl]sulfonylpropanenitrile

Sources & evidence

ORD record
ord-b60527ba297048f8b4a3e29c14a7d838
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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