Acetate → 3-(4-Methylphenyl)benzonitrile

HRID 1545406Notes

Reaction equation

HRID 1545406 reaction equation
[Br:10][c:11]1[cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17][cH:18]1.[CH3:2][c:3]1[cH:4][cH:5][c:6]([Mg+:9])[cH:7][cH:8]1.[Cl-:1].[O-:44][C:45]([CH3:46])=[O:47].[O-:48][C:49]([CH3:50])=[O:51].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[Pd+2:43].[c:19]1([P:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH3:2][c:3]1[cH:4][cH:5][c:6](-[c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17][cH:18]2)[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 312ChlorideHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 233813-BromobenzonitrileHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 178426146HCID 178426146, compound

Product 1

HCID 13939093-(4-Methylphenyl)benzonitrile

Sources & evidence

ORD record
ord-b3f4a4d759da4925a83b2fc1ef494aa0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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