Chloride → 4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2,2-trifluoroethyl)benzoic acid amide

HRID 1234717Notes

Reaction equation

HRID 1234717 reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH:41]([Cl:42])([Cl:43])[Cl:44].[Cl-:8].[Cl:9][c:10]1[cH:11][c:12]([C:17]2([C:31]([F:32])([F:33])[F:34])[CH2:18][C:19]([c:22]3[cH:23][cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]3)=[N:20][O:21]2)[cH:13][c:14]([Cl:16])[cH:15]1.[F:35][C:36]([CH2:37][NH2:38])([F:39])[F:40].[OH2:45]>>[Cl:9][c:10]1[cH:11][c:12]([C:17]2([C:31]([F:32])([F:33])[F:34])[CH2:18][C:19]([c:22]3[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:38][CH2:37][C:36]([F:35])([F:39])[F:40])[cH:29][cH:30]3)=[N:20][O:21]2)[cH:13][c:14]([Cl:16])[cH:15]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 962WaterHCID 6212ChloroformHCID 8471TriethylamineHCID 9773Ethanamine, 2,2,2-trifluoro-HCID 251573784-[5-(3,5-Dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]benzoic acid

Product 1

HCID 113406964-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-N-(2,2,2-trifluoroethyl)benzoic acid amide

Sources & evidence

ORD record
ord-fe9c8c20615c4397a7c97536b934bce1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…