Bicarbonate Ion → 3-(4-Bromo-3-methylphenyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole

Reaction equation

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

Participants

Reactant 5

HCID 769Bicarbonate Ion

HCID 813Potassium Cation

HCID 8028Tetrahydrofuran

HCID 231598231,3-Dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene

HCID 866114784-Bromo-alpha-chloro-3-methylbenzaldoxime

Product 1

HCID 231598123-(4-Bromo-3-methylphenyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole

Sources & evidence

ORD record: ord-f2a14601e0214b3091c59db6564f839c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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