Potassium Cation → tert-butyl 2-(N-(4-chlorobenzyl)piperazine-1-carboxamido)ethylcarbamate

HRID 170209

Reaction equation

HRID 170209 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][N:11]([C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([C:20]([O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)=[O:29])[CH2:18][CH2:19]1)[CH2:30][c:31]1[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]1.[CH3:40][OH:41].[CH3:45][OH:46].[K+:39].[K+:44].[OH-:38].[OH-:43].[OH2:42].[OH2:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][N:11]([C:12](=[O:13])[N:14]1[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1)[CH2:30][c:31]1[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 887Methanol2×HCID 961Hydroxide2×HCID 962Water2×HCID 53416583Benzyl 4-({2-[(tert-butoxycarbonyl)amino]ethyl}[(4-chlorophenyl)methyl]carbamoyl)piperazine-1-carboxylate

Product 1

HCID 67135341tert-butyl 2-(N-(4-chlorobenzyl)piperazine-1-carboxamido)ethylcarbamate

Sources & evidence

ORD record
ord-b6612fa9ca7c461d90b9554cbc5888e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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