1,2-Dichloroethane → 1-{4-[(3-Nitrophenyl)methyl]piperazin-1-yl}ethan-1-one

HRID 157073Notes

Reaction equation

HRID 157073 reaction equation
[C:12]([CH3:13])(=[O:14])[N:15]1[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[C:21]([O:22][BH-:23]([O:24][C:25](=[O:26])[CH3:27])[O:28][C:29](=[O:30])[CH3:31])(=[O:32])[CH3:33].[CH3:35][C:36](=[O:37])[OH:38].[Cl:39][CH2:40][CH2:41][Cl:42].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[O:8])[cH:9][cH:10][cH:11]1.[Na+:34]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH2:7][N:18]2[CH2:17][CH2:16][N:15]([C:12]([CH3:13])=[O:14])[CH2:20][CH2:19]2)[cH:9][cH:10][cH:11]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 74493-NitrobenzaldehydeHCID 837951-AcetylpiperazineHCID 2724942Triacetoxyborohydride

Product 1

HCID 222884131-{4-[(3-Nitrophenyl)methyl]piperazin-1-yl}ethan-1-one

Sources & evidence

ORD record
ord-b07b9c6b92cf4def844a7766a948ab81
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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