Triphenylphosphine → 2-(4-Chloro-2-(2-(trimethylsilyl)ethynyl)phenyl)propanenitrile

HRID 1226848Notes

Reaction equation

HRID 1226848 reaction equation
[CH3:13][Si:14]([CH3:15])([CH3:16])[C:17]#[CH:18].[Cl:1][c:2]1[cH:3][c:4]([I:12])[c:5]([CH:8]([C:9]#[N:10])[CH3:11])[cH:6][cH:7]1.[Cu:19][I:20].[Pd:21]([Cl:22])[Cl:23].[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1.[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[Cl:1][c:2]1[cH:3][c:4]([C:18]#[C:17][Si:14]([CH3:13])([CH3:15])[CH3:16])[c:5]([CH:8]([C:9]#[N:10])[CH3:11])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 66111TrimethylsilylacetyleneHCID 670999922-(4-Chloro-2-iodophenyl)propanenitrile

Product 1

HCID 670996472-(4-Chloro-2-(2-(trimethylsilyl)ethynyl)phenyl)propanenitrile

Sources & evidence

ORD record
ord-92984e1e11cc4a0291bd1b1ba0add3a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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