O-Xylene → Bromide ion

HRID 120567Notes

Reaction equation

HRID 120567 reaction equation
[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([CH:15]3[CH2:16][CH2:17][CH:18]([CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[CH2:19][CH2:20]3)[cH:13][cH:14]2)[cH:7][cH:8]1.[CH3:45][c:46]1[c:47]([CH3:48])[cH:49][cH:50][cH:51][cH:52]1.[c:26]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[Br-:1].[CH2:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([CH:15]3[CH2:16][CH2:17][CH:18]([CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[CH2:19][CH2:20]3)[cH:13][cH:14]2)[cH:7][cH:8]1)[P+:32]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1

Participants

5

Reactant 3

HCID 7237O-XyleneHCID 11776TriphenylphosphineHCID 20233357HCID 20233357, compound

Product 2

HCID 259Bromide ionHCID 20211481HCID 20211481, compound

Sources & evidence

ORD record
ord-5b7088733a8b4459ac883d48e4dd1523
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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