Cyanide → 1-oxo-2,3-dihydro-1H-indene-5-carbonitrile

HRID 2336949Notes

Reaction equation

[Br:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[C:7](=[O:11])[CH2:6][CH2:5]2.[C-:24]#[N:25].[C-:27]#[N:28].[C:29]([P:30]([C:31]([CH3:32])([CH3:33])[CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])([CH3:39])([CH3:40])[CH3:41].[C:42]([P:43]([C:44]([CH3:45])([CH3:46])[CH3:47])[C:48]([CH3:49])([CH3:50])[CH3:51])([CH3:52])([CH3:53])[CH3:54].[CH2:19]1[O:20][CH2:21][CH2:22][CH2:23]1.[CH3:12][N:13]1[CH2:14][CH2:15][CH2:16][C:17]1=[O:18].[Pd:55].[Zn+2:26]>>[c:2]1([C:12]#[N:13])[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[C:7](=[O:11])[CH2:6][CH2:5]2

Participants

Reactant 7

HCID 5975Cyanide2×

HCID 8028Tetrahydrofuran

HCID 13387N-methyl-2-pyrrolidone

HCID 23938Palladium

HCID 32051Zinc(2+)

HCID 83681Tris(1,1-dimethylethyl)phosphine2×

HCID 5206955-Bromo-1-indanone

Product 1

HCID 3128961-oxo-2,3-dihydro-1H-indene-5-carbonitrile

Sources & evidence

ORD record: ord-8abc49ed980e43cb98b6dad8e6f43884
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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