Toluene → Bromide ion

HRID 171520Notes

Reaction equation

HRID 171520 reaction equation
[Br:20][CH2:21][CH2:22][CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28].[CH3:29][CH2:30][O:31][CH2:32][CH3:33].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[c:1]1([P:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[Br-:20].[c:1]1([P+:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:21][CH2:22][CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 4

HCID 1140TolueneHCID 3283Diethyl EtherHCID 11776TriphenylphosphineHCID 76300Ethyl 4-bromobutyrate

Product 2

HCID 259Bromide ionHCID 500024Ethyl 4-(triphenylphosphoranyl)butanoate

Sources & evidence

ORD record
ord-fd7290cde4864e91927c460a915e23ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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