Acetate → 7-[5-Formyl-2-trifluoromethoxy-phenyl]-3,3-dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid dimethylamide

HRID 2137604

Reaction equation

HRID 2137604 reaction equation
[Br:50][c:51]1[cH:52][c:53]([CH:54]=[O:55])[cH:56][cH:57][c:58]1[O:59][C:60]([F:61])([F:62])[F:63].[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]([Br:16])[c:8]2[c:9]([cH:15]1)[C:10]([CH3:13])([CH3:14])[CH2:11][O:12]2)[CH3:17].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH:25]1([P:26]([CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2-[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[O-:77][C:78]([CH3:79])=[O:80].[O-:81][C:82]([CH3:83])=[O:84].[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1.[OH2:85].[Pd+2:76]>>[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][c:7](-[c:51]2[cH:52][c:53]([CH:54]=[O:55])[cH:56][cH:57][c:58]2[O:59][C:60]([F:61])([F:62])[F:63])[c:8]2[c:9]([cH:15]1)[C:10]([CH3:13])([CH3:14])[CH2:11][O:12]2)[CH3:17]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 962WaterHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342162-(Dicyclohexylphosphino)biphenylHCID 131504163-Bromo-4-(trifluoromethoxy)benzaldehydeHCID 695216765-Benzofurancarboxamide, 7-bromo-2,3-dihydro-N,N,3,3-tetramethyl-

Product 1

HCID 865888657-[5-Formyl-2-trifluoromethoxy-phenyl]-3,3-dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid dimethylamide

Sources & evidence

ORD record
ord-546755aec52947a1b8ed873cb06eee17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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