2-Chloro-6-fluorobenzoic acid → 5-Amino-N-(2-{[[(2-chloro-6-fluorophenyl)carbonyl](methyl)amino]methyl}-3,3,3-trifluoro-2-hydroxypropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

HRID 1117245Notes

Reaction equation

HRID 1117245 reaction equation
[Cl:27][c:28]1[c:29]([C:30](=[O:31])[OH:32])[c:33]([F:37])[cH:34][cH:35][cH:36]1.[NH2:1][c:2]1[c:3]([C:14](=[O:15])[NH:16][CH2:17][C:18]([C:19]([F:20])([F:21])[F:22])([CH2:23][NH:24][CH3:25])[OH:26])[cH:4][n:5][n:6]1-[c:7]1[cH:8][cH:9][c:10]([F:13])[cH:11][cH:12]1>>[NH2:1][c:2]1[c:3]([C:14](=[O:15])[NH:16][CH2:17][C:18]([C:19]([F:20])([F:21])[F:22])([CH2:23][N:24]([CH3:25])[C:30]([c:29]2[c:28]([Cl:27])[cH:36][cH:35][cH:34][c:33]2[F:37])=[O:31])[OH:26])[cH:4][n:5][n:6]1-[c:7]1[cH:8][cH:9][c:10]([F:13])[cH:11][cH:12]1

Participants

3

Reactant 2

HCID 679472-Chloro-6-fluorobenzoic acidHCID 594874925-Amino-1-(4-fluorophenyl)-N-{3,3,3-trifluoro-2-hydroxy-2-[(methylamino)methyl]propyl}-1H-pyrazole-4-carboxamide

Product 1

HCID 594875145-Amino-N-(2-{[[(2-chloro-6-fluorophenyl)carbonyl](methyl)amino]methyl}-3,3,3-trifluoro-2-hydroxypropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

Sources & evidence

ORD record
ord-b80c8e8ba66649718c9999e577020e31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…