Acetate → 3,5-Dimethyl-1-(3-nitro-4-phenylmethoxyphenyl)piperazine

HRID 286670Notes

Reaction equation

HRID 286670 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N+:16](=[O:17])[O-:18])[c:5]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1.[C:27](=[O:28])([O-:29])[O-:30].[C:39]([O-:40])(=[O:41])[CH3:42].[C:44]([O-:45])(=[O:46])[CH3:47].[CH3:19][CH:20]1[NH:21][CH:22]([CH3:26])[CH2:23][NH:24][CH2:25]1.[Cs+:31].[Cs+:32].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[Pd+2:43]>>[c:2]1([N:24]2[CH2:23][CH:22]([CH3:26])[NH:21][CH:20]([CH3:19])[CH2:25]2)[cH:3][c:4]([N+:16](=[O:17])[O-:18])[c:5]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 660562,6-DimethylpiperazineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112782421-(Benzyloxy)-4-bromo-2-nitrobenzene

Product 1

HCID 691971983,5-Dimethyl-1-(3-nitro-4-phenylmethoxyphenyl)piperazine

Sources & evidence

ORD record
ord-73de9377558f4a41836d1209efd4a68f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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