Acetate → 1-[2-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-5-methoxy-phenyl]-propan-1-one

HRID 306981Notes

Reaction equation

HRID 306981 reaction equation
[C:43]([CH2:44][CH3:45])(=[O:46])[Cl:47].[C:59]([O-:60])(=[O:61])[CH3:62].[C:64]([O-:65])(=[O:66])[CH3:67].[CH2:18]([Li:19])[CH2:20][CH2:21][CH3:22].[CH2:48]([O:49][CH2:50][CH3:51])[CH3:52].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9]2=[N:13][C:12]([CH3:14])([CH3:15])[CH2:11][O:10]2)[cH:7][cH:8]1.[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[Li:23].[N:16]#[N:17].[Pd+2:63].[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9]2=[N:13][C:12]([CH3:14])([CH3:15])[CH2:11][O:10]2)[c:7]([C:43]([CH2:44][CH3:45])=[O:46])[cH:8]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 947NitrogenHCID 3283Diethyl EtherHCID 8058HexaneHCID 11776TriphenylphosphineHCID 62324Propionyl chlorideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 3593374,5-Dihydro-2-(4-methoxyphenyl)-4,4-dimethyloxazoleHCID 3028194LithiumHCID 178418339Butyllithium

Product 1

HCID 106114351-[2-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-5-methoxy-phenyl]-propan-1-one

Sources & evidence

ORD record
ord-e6b2743c72f3478d80a0c4d55bbcecd8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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