Acetonitrile → Bromide ion

HRID 186113Notes

Reaction equation

HRID 186113 reaction equation
[CH3:33][C:34]#[N:35].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[c:8]([CH2:12][Br:13])[cH:9][cH:10][cH:11]1.[c:14]1([P:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[Br-:13].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[c:8]([CH2:12][P+:20]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:9][cH:10][cH:11]1

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 11776TriphenylphosphineHCID 22935208Methyl 2-(bromomethyl)-6-chlorobenzoate

Product 2

HCID 259Bromide ionHCID 86594265(3-Chloro-2-methoxycarbonylphenyl)methyl-triphenylphosphanium

Sources & evidence

ORD record
ord-d8ee8ddd25864e7d8d8c4c6181a65a63
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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