Chloride → 5-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-2-methyl-2H-pyrazole-3-carboxylic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide

HRID 693566Notes

Reaction equation

HRID 693566 reaction equation
[CH2:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH:41]([CH3:42])[CH3:43])[CH3:44].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[Cl-:52].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH3:24])[c:12]2[CH2:13][O:14][c:15]2[cH:16][c:17]([C:21](=[O:22])[OH:23])[n:18]([CH3:20])[n:19]2)[cH:6][cH:7]1.[NH2:45][C:46]([CH2:47][OH:48])([CH3:49])[CH3:50].[Na+:51].[OH2:25].[OH:26][n:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH3:24])[c:12]2[CH2:13][O:14][c:15]2[cH:16][c:17]([C:21](=[O:23])[NH:45][C:46]([CH2:47][OH:48])([CH3:49])[CH3:50])[n:18]([CH3:20])[n:19]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 118072-Amino-2-methyl-1-propanolHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 66643617HCID 66643617, compound

Product 1

HCID 595684165-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-2-methyl-2H-pyrazole-3-carboxylic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide

Sources & evidence

ORD record
ord-a808995fcd8f442a81fbaf5abc8f39d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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