Toluene → Chloride

HRID 1153181Notes

Reaction equation

HRID 1153181 reaction equation
[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cl:21][CH2:22][c:23]1[cH:24][cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30]1.[PH4+:1].[c:2]1([P:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[Cl-:21].[c:2]1([P+:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:22][c:23]2[cH:24][cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 4

HCID 1140TolueneHCID 11776TriphenylphosphineHCID 701274-(Chloromethyl)benzonitrileHCID 5460504Phosphonium

Product 2

HCID 312ChlorideHCID 2724469(4-Cyanophenyl)methyl-triphenylphosphanium

Sources & evidence

ORD record
ord-8196ff2e1d534948b62f9333af67bf10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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