Bromide ion → Bromide ion

HRID 1240229Notes

Reaction equation

HRID 1240229 reaction equation
[Br-:20].[Br-:40].[BrH:19].[CH2:42]([Cl:43])[Cl:44].[OH:1][CH:2]1[C:3](=[O:18])[C:4]([CH3:17])=[C:5]([CH:10]=[CH:11][C:12]([CH:13]=[CH2:14])([OH:15])[CH3:16])[C:6]([CH3:8])([CH3:9])[CH2:7]1.[PH4+:41].[c:21]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[Br-:19].[OH:1][CH:2]1[C:3](=[O:18])[C:4]([CH3:17])=[C:5]([CH:10]=[CH:11][C:12](=[CH:13][CH2:14][P+:27]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[CH3:16])[C:6]([CH3:8])([CH3:9])[CH2:7]1

Participants

8

Reactant 6

HCID 259Bromide ion2×HCID 260Hydrogen BromideHCID 6344DichloromethaneHCID 11776TriphenylphosphineHCID 5460504PhosphoniumHCID 571232826-Hydroxy-3-(3-hydroxy-3-methylpenta-1,4-dienyl)-2,4,4-trimethylcyclohex-2-en-1-one

Product 2

HCID 259Bromide ionHCID 72460968[5-(4-Hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3-methylpenta-2,4-dienyl]-triphenylphosphanium

Sources & evidence

ORD record
ord-a2fedc9d01fe4f2a83df79114eb50799
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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