Sodium ion → [(4-Chloro-thiazol-5-yl)methyl]-isobutyl-piperidin-4-yl-amine

HRID 311996Notes

Reaction equation

HRID 311996 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[CH2:19][c:20]2[c:21]([Cl:25])[n:22][cH:23][s:24]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:35][CH2:36][Cl:37].[Na+:34].[OH-:33].[OH:26][C:27]([C:28]([F:29])([F:30])[F:31])=[O:32]>>[NH:8]1[CH2:9][CH2:10][CH:11]([N:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[CH2:19][c:20]2[c:21]([Cl:25])[n:22][cH:23][s:24]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 685750414-{[(4-Chloro-thiazol-5-yl)methyl]-isobutyl-amino}-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 57640347[(4-Chloro-thiazol-5-yl)methyl]-isobutyl-piperidin-4-yl-amine

Sources & evidence

ORD record
ord-3ee33a84e8284f5f82a2dedb3c1f70c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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