O-Xylene → Chloride

HRID 298045Notes

Reaction equation

HRID 298045 reaction equation
[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]([F:16])[c:12]([F:15])[cH:13][cH:14]2)[n:7][cH:8]1.[c:17]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:18][cH:19][cH:20][cH:21][cH:22]1.[c:36]1([CH3:37])[c:38]([CH3:39])[cH:40][cH:41][cH:42][cH:43]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]([F:16])[c:12]([F:15])[cH:13][cH:14]2)[n:7][cH:8]1)[P+:23]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Cl-:1]

Participants

5

Reactant 3

HCID 7237O-XyleneHCID 11776TriphenylphosphineHCID 190949555-Chloromethyl-2-(3,4-difluorophenyl)pyridine

Product 2

HCID 312ChlorideHCID 19094918[6-(3,4-Difluorophenyl)-3-pyridinyl]methyl-triphenylphosphanium

Sources & evidence

ORD record
ord-dd84942006f6449e8b4157f700aad1fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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