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

HRID 213554Notes

Reaction equation

HRID 213554 reaction equation
[CH2:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH:42]([CH3:43])[CH3:44])[CH3:45].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[Cl-:53].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH2:24][OH:25])[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.[NH2:46][C:47]([CH2:48][OH:49])([CH3:50])[CH3:51].[Na+:52].[OH2:26].[OH:27][n:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH2:24][OH:25])[c:12]2[CH2:13][O:14][c:15]2[cH:16][c:17]([C:21](=[O:22])[NH:46][C:47]([CH2:48][OH:49])([CH3:50])[CH3:51])[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 666437235-[3-(4-chloro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-2-methyl-2H-pyrazole-3-carboxylic acid

Product 1

HCID 497930925-[3-(4-Chloro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-2-methyl-2H-pyrazole-3-carboxylic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide

Sources & evidence

ORD record
ord-8c1b9cd5b57044a5885944f8279c7e5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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