Benzonitrile → HCID 59648645, compound

HRID 1209567Notes

Reaction equation

HRID 1209567 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH:7]=[O:8])[o:5][cH:6]1.[C:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)#[N:40].[C:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)#[N:48].[CH:9]([NH:10][CH:11]([CH3:12])[CH3:13])([CH3:14])[CH3:15].[Cl:30][Pd:31][Cl:32].[Cu:49][I:50].[O:24]1[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1.[c:16]1([C:22]#[CH:23])[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[c:2]1([C:23]#[C:22][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:3][c:4]([CH:7]=[O:8])[o:5][cH:6]1

Participants

8

Reactant 7

HCID 7505Benzonitrile2×HCID 7912DiisopropylamineHCID 10821PhenylacetyleneHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 27570104-Bromo-2-furaldehyde

Product 1

HCID 59648645HCID 59648645, compound

Sources & evidence

ORD record
ord-61e4a36fe56c4a09b43affe5d3dbe4e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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