Bicarbonate Ion → N-acetyl-N-(5-chloro-2-pyrimidinyl)-2-methyl-4-[5-(3,4,5-trichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]benzoic acid amide

HRID 941613Notes

Reaction equation

HRID 941613 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]([C:5]([c:6]1[c:7]([CH3:15])[cH:8][c:9]([CH:12]=[N:13][OH:14])[cH:10][cH:11]1)=[O:16])[c:17]1[n:18][cH:19][c:20]([Cl:23])[cH:21][n:22]1.[C:48](=[O:49])([O-:50])[OH:51].[CH3:53][O:54][CH2:55][CH2:56][O:57][CH3:58].[Cl:24][N:25]=[C:26]([OH:27])[CH2:28][CH2:29][C:30]([OH:31])=[O:32].[Cl:33][c:34]1[cH:35][c:36]([C:42](=[CH2:43])[C:44]([F:45])([F:46])[F:47])[cH:37][c:38]([Cl:41])[c:39]1[Cl:40].[K+:52].[OH2:59]>>[C:1]([CH3:2])(=[O:3])[N:4]([C:5]([c:6]1[c:7]([CH3:15])[cH:8][c:9]([C:12]2=[N:13][O:14][C:42]([c:36]3[cH:35][c:34]([Cl:33])[c:39]([Cl:40])[c:38]([Cl:41])[cH:37]3)([C:44]([F:45])([F:46])[F:47])[CH2:43]2)[cH:10][cH:11]1)=[O:16])[c:17]1[n:18][cH:19][c:20]([Cl:23])[cH:21][n:22]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 813Potassium CationHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 498201551,2,3-Trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzeneHCID 86654460N-acetyl-N-(5-chloro-2-pyrimidinyl)-4-hydroxyiminomethyl-2-methyl benzoic acid amideHCID 178525519HCID 178525519, compound

Product 1

HCID 86654459N-acetyl-N-(5-chloro-2-pyrimidinyl)-2-methyl-4-[5-(3,4,5-trichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]benzoic acid amide

Sources & evidence

ORD record
ord-496f79df91f74fa0891fdcfe5b5d2a31
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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