Acetate → Methyl 2-isopropenylquinoline-6-carboxylate

HRID 153521Notes

Reaction equation

HRID 153521 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([C:12](=[CH2:13])[CH3:14])[n:8][c:9]2[cH:10][cH:11]1.[C:65]([O:66][CH2:67][CH3:68])(=[O:69])[CH3:70].[C:71]([O-:72])(=[O:73])[CH3:74].[C:76]([O-:77])(=[O:78])[CH3:79].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][OH:52].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[Pd+2:75].[c:15]1([P:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:23][CH2:24][CH2:25][P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1.[c:58]1([CH3:59])[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[c:2]1([C:54]([O:52][CH3:51])=[O:53])[cH:3][c:4]2[cH:5][cH:6][c:7]([C:12](=[CH2:13])[CH3:14])[n:8][c:9]2[cH:10][cH:11]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 887MethanolHCID 1140TolueneHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 812191,3-Bis(diphenylphosphino)propaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 666370726-Bromo-2-isopropenylquinoline

Product 1

HCID 66637151Methyl 2-isopropenylquinoline-6-carboxylate

Sources & evidence

ORD record
ord-e108e167bb2644f2982d198c8531d947
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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