Toluene → Bromide ion

HRID 1214075Notes

Reaction equation

HRID 1214075 reaction equation
[Br:1][CH2:2][C:3]1=[CH:9][c:8]2[c:7]([cH:13][cH:12][c:11](-[c:14]3[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]3)[cH:10]2)[O:6][CH2:5][CH2:4]1.[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[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-:1].[CH2:2]([C:3]1=[CH:9][c:8]2[c:7]([cH:13][cH:12][c:11](-[c:14]3[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]3)[cH:10]2)[O:6][CH2:5][CH2:4]1)[P+:27]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1

Participants

5

Reactant 3

HCID 1140TolueneHCID 11776TriphenylphosphineHCID 229900924-Bromomethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzooxepine

Product 2

HCID 259Bromide ionHCID 22990040[7-(4-Methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]methyl-triphenylphosphanium

Sources & evidence

ORD record
ord-92c9d822ca974b7f89b92fc062d00e1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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