Toluene → Bromide ion

HRID 300292Notes

Reaction equation

HRID 300292 reaction equation
[Br:1][CH2:2][c:3]1[cH:4][c:5](-[c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11][cH:12]1.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[c:20]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[Br-:1].[CH2:2]([c:3]1[cH:4][c:5](-[c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11][cH:12]1)[P+:26]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1

Participants

5

Reactant 3

HCID 1140TolueneHCID 11776TriphenylphosphineHCID 18399506Methyl 4-bromomethyl-2-(4-fluorophenyl)benzoate

Product 2

HCID 259Bromide ionHCID 22088517[3-(4-Fluorophenyl)-4-methoxycarbonylphenyl]methyl-triphenylphosphanium

Sources & evidence

ORD record
ord-870e48e87ea14d2c91c12213932364cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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