Potassium Cation → Tert-butyl 4-[4-(5-chloro-2-nitrophenoxy)phenyl]piperazine-1-carboxylate

HRID 669089Notes

Reaction equation

HRID 669089 reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][N:22]([c:25]2[cH:26][cH:27][c:28]([OH:31])[cH:29][cH:30]2)[CH2:23][CH2:24]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[Cl:1][c:2]1[cH:3][c:4]([F:11])[c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[K+:36].[K+:37].[OH2:43]>>[Cl:1][c:2]1[cH:3][c:4]([O:31][c:28]2[cH:27][cH:26][c:25]([N:22]3[CH2:21][CH2:20][N:19]([C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:18])[CH2:24][CH2:23]3)[cH:30][cH:29]2)[c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 696914-Chloro-2-fluoro-1-nitrobenzeneHCID 116877404-(4-Hydroxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 17815432Tert-butyl 4-[4-(5-chloro-2-nitrophenoxy)phenyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-87fc68c2f9fd436c83470d04bfb10b52
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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