Water → 4-[5-(3,5-Dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-2-methoxyphen yl trifluoromethane sulfonate

HRID 684008Notes

Reaction equation

HRID 684008 reaction equation
[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Cl:20][N:21]=[C:22]([OH:23])[CH2:24][CH2:25][C:26]([OH:27])=[O:28].[Cl:29][c:30]1[cH:31][c:32]([C:37](=[CH2:38])[C:39]([F:40])([F:41])[F:42])[cH:33][c:34]([Cl:36])[cH:35]1.[F:1][C:2]([S:3](=[O:4])(=[O:5])[O:6][c:7]1[c:8]([O:16][CH3:17])[cH:9][c:10]([CH:13]=[N:14][OH:15])[cH:11][cH:12]1)([F:18])[F:19].[OH2:55]>>[F:1][C:2]([S:3](=[O:4])(=[O:5])[O:6][c:7]1[c:8]([O:16][CH3:17])[cH:9][c:10]([C:13]2=[N:14][O:15][C:37]([c:32]3[cH:31][c:30]([Cl:29])[cH:35][c:34]([Cl:36])[cH:33]3)([C:39]([F:40])([F:41])[F:42])[CH2:38]2)[cH:11][cH:12]1)([F:18])[F:19]

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 231598231,3-Dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzeneHCID 871503954-Hydroxyiminomethyl-2-methoxyphenyl trifluoromethane sulfonateHCID 178525519HCID 178525519, compound

Product 1

HCID 231598024-[5-(3,5-Dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-2-methoxyphen yl trifluoromethane sulfonate

Sources & evidence

ORD record
ord-ccc7943ef16c46849588f1a6c15b5d83
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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