Ethyl Acetate → 1-Ethyl-4-(5-nitropyridin-2-yl)piperazine

HRID 168304Notes

Reaction equation

HRID 168304 reaction equation
[CH2:11]([CH3:12])[N:13]1[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1.[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH:19]([N:20]([CH2:21][CH3:22])[CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[O:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1>>[c:2]1([N:16]2[CH2:15][CH2:14][N:13]([CH2:11][CH3:12])[CH2:18][CH2:17]2)[n:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 783082-Chloro-5-nitropyridineHCID 791961-EthylpiperazineHCID 81531Diisopropylethylamine

Product 1

HCID 28489801-Ethyl-4-(5-nitropyridin-2-yl)piperazine

Sources & evidence

ORD record
ord-3b1b723d07c94d4288d6f6cdb0648152
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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