Bicarbonate Ion → tert-Butyl 4-(3-bromopropyl)piperazine-1-carboxylate

HRID 305848Notes

Reaction equation

HRID 305848 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][Br:5].[C:28](=[O:29])([OH:30])[O-:31].[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11](=[O:12])[N:13]1[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1.[CH2:33]1[O:34][CH2:35][CH2:36][O:37][CH2:38]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH:19]([N:20]([CH:21]([CH3:22])[CH3:23])[CH2:24][CH3:25])([CH3:26])[CH3:27].[Na+:32]>>[Br:1][CH2:2][CH2:3][CH2:4][N:16]1[CH2:15][CH2:14][N:13]([C:11]([O:10][C:6]([CH3:7])([CH3:8])[CH3:9])=[O:12])[CH2:18][CH2:17]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 80011,3-DibromopropaneHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 143452tert-Butyl piperazine-1-carboxylate

Product 1

HCID 15946517tert-Butyl 4-(3-bromopropyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-242cba5bba1f4cc2927689260a9e5aa9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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