Acetate → Methyl 4-(3'-methoxy-4'-nitro-1,1'-biphenyl-4-yl)-2,2-dimethyl-4-oxobutanoate

HRID 1557207Notes

Reaction equation

HRID 1557207 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][C:10]([C:11](=[O:12])[O:13][CH3:14])([CH3:15])[CH3:16])=[O:17])[cH:6][cH:7]1.[C:35](=[O:36])([O-:37])[O-:38].[C:46]([O-:47])(=[O:48])[CH3:49].[C:51]([O-:52])(=[O:53])[CH3:54].[CH3:19][C:20](=[O:21])[O-:22].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cl:23][c:24]1[cH:25][cH:26][c:27]([N+:32](=[O:33])[O-:34])[c:28]([O:30][CH3:31])[cH:29]1.[Cs+:39].[Cs+:40].[K+:18].[OH2:55].[Pd+2:50]>>[c:2]1(-[c:24]2[cH:25][cH:26][c:27]([N+:32](=[O:33])[O-:34])[c:28]([O:30][CH3:31])[cH:29]2)[cH:3][cH:4][c:5]([C:8]([CH2:9][C:10]([C:11](=[O:12])[O:13][CH3:14])([CH3:15])[CH3:16])=[O:17])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate3×HCID 813Potassium CationHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 811105-Chloro-2-nitroanisoleHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 21985797Methyl 4-(4-bromophenyl)-2,2-dimethyl-4-oxobutanoate

Product 1

HCID 21985714Methyl 4-(3'-methoxy-4'-nitro-1,1'-biphenyl-4-yl)-2,2-dimethyl-4-oxobutanoate

Sources & evidence

ORD record
ord-ba4b3a9aaad34d2e9289bf0e6a20f145
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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