Bromide ion → 4-(3-Phenylbut-1-enyl)benzoic acid

HRID 685365Notes

Reaction equation

HRID 685365 reaction equation
[Br-:3].[C:4](=[O:5])([OH:6])[c:7]1[cH:8][cH:9][c:10]([CH2:11][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)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:31][cH:32]1.[CH3:49][S:50](=[O:51])[CH3:52].[H-:1].[Na+:2].[Na+:48].[S:43](=[O:44])(=[O:45])([OH:46])[O-:47].[c:33]1([CH:39]([CH:40]=[O:41])[CH3:42])[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[C:4](=[O:5])([OH:6])[c:7]1[cH:8][cH:9][c:10]([CH:11]=[CH:40][CH:39]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH3:42])[cH:31][cH:32]1

Participants

8

Reactant 7

HCID 259Bromide ionHCID 679Dimethyl SulfoxideHCID 923Sodium ion2×HCID 71462-PhenylpropanalHCID 61778Sulfate, hydrogenHCID 166653HydrideHCID 4605319(4-Carboxyphenyl)methyl-triphenylphosphanium

Product 1

HCID 538671184-(3-Phenylbut-1-enyl)benzoic acid

Sources & evidence

ORD record
ord-19cd945a6c864377aa4995aca9740d07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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