Dichloromethane → 4-[2-(4-Chloro-5 methyl-3-trifluoromethyl-pyrazol-1yl)-acetyl]-piperazine-1carboxylic acid tert-butyl ester

HRID 88254

Reaction equation

HRID 88254 reaction equation
[C:16](=[O:17])([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[N:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1.[Cl:1][c:2]1[c:3]([C:12]([F:13])([F:14])[F:15])[n:4][n:5]([CH2:8][C:9](=[O:10])[OH:11])[c:6]1[CH3:7].[Cl:29][CH2:30][Cl:31]>>[Cl:1][c:2]1[c:3]([C:12]([F:13])([F:14])[F:15])[n:4][n:5]([CH2:8][C:9](=[O:11])[N:26]2[CH2:25][CH2:24][N:23]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:28][CH2:27]2)[c:6]1[CH3:7]

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 143452tert-Butyl piperazine-1-carboxylateHCID 1876853(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid

Product 1

HCID 594922894-[2-(4-Chloro-5 methyl-3-trifluoromethyl-pyrazol-1yl)-acetyl]-piperazine-1carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-ef996d5dc1474874920f88996c6c18e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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