Acetate → 4-(4-Methylphenyl)-2-(2-methylpropyl)-6-(3-oxoprop-1-enyl)quinoline-3-carbonitrile

HRID 2349485Notes

Reaction equation

HRID 2349485 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5](-[c:18]3[cH:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]3)[c:6]([C:16]#[N:17])[c:7]([CH2:12][CH:13]([CH3:14])[CH3:15])[n:8][c:9]2[cH:10][cH:11]1.[C:62]([O-:63])(=[O:64])[CH3:65].[C:67]([O-:68])(=[O:69])[CH3:70].[CH2:42]([N+:43]([CH2:44][CH3:45])([CH2:46][CH3:47])[CH2:48][CH3:49])[c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH:25](=[O:26])[CH:27]=[CH2:28].[Cl-:41].[Pd+2:66]>>[c:2]1([CH:28]=[CH:27][CH:25]=[O:26])[cH:3][c:4]2[c:5](-[c:18]3[cH:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]3)[c:6]([C:16]#[N:17])[c:7]([CH2:12][CH:13]([CH3:14])[CH3:15])[n:8][c:9]2[cH:10][cH:11]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 312ChlorideHCID 6228DimethylformamideHCID 7847AcroleinHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 17208BenzyltriethylammoniumHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 51050239HCID 51050239, compound

Product 1

HCID 756069474-(4-Methylphenyl)-2-(2-methylpropyl)-6-(3-oxoprop-1-enyl)quinoline-3-carbonitrile

Sources & evidence

ORD record
ord-3df2a4812e154179bc1747c6cd8051b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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