Acetate → 1-(2-Methoxy-5-nitrophenyl)-3,5-dimethylpiperazine

HRID 1556151Notes

Reaction equation

HRID 1556151 reaction equation
[Br:7][c:8]1[c:9]([O:17][CH3:18])[cH:10][cH:11][c:12]([N+:14](=[O:15])[O-:16])[cH:13]1.[C:1](=[O:2])([O-:3])[O-:4].[CH3:19][CH:20]1[NH:21][CH:22]([CH3:26])[CH2:23][NH:24][CH2:25]1.[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[Cs+:5].[Cs+:6].[O-:39][C:40]([CH3:41])=[O:42].[O-:43][C:44]([CH3:45])=[O:46].[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[Pd+2:38]>>[c:8]1([N:24]2[CH2:23][CH:22]([CH3:26])[NH:21][CH:20]([CH3:19])[CH2:25]2)[c:9]([O:17][CH3:18])[cH:10][cH:11][c:12]([N+:14](=[O:15])[O-:16])[cH:13]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 660562,6-DimethylpiperazineHCID 788702-Bromo-4-nitroanisoleHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)

Product 1

HCID 691974431-(2-Methoxy-5-nitrophenyl)-3,5-dimethylpiperazine

Sources & evidence

ORD record
ord-36c5bc9ce89e4da98d560a6d170fed64
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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