Ammonia → 4-(2-Aminomethyl-4-trifluoromethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

HRID 2337338Notes

Reaction equation

HRID 2337338 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([C:24]#[N:25])[cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH3:29][CH2:30][OH:31].[H:26][H:27].[NH3:28]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH2:24][NH2:25])[cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 222AmmoniaHCID 702EthanolHCID 59793685Tert-butyl 4-[2-cyano-4-(trifluoromethyl)phenyl]piperazine-1-carboxylateHCID 178418361HCID 178418361, compound

Product 1

HCID 674164364-(2-Aminomethyl-4-trifluoromethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-4ef37b6b3a0a4ec3ba1b13f86d45b7c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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