Water → 3-(4-Bromo-1-naphthalenyl)-5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)isoxazole

HRID 2144601Notes

Reaction equation

HRID 2144601 reaction equation
[Br:37][C:38]([C:39]([F:40])([F:41])[F:42])=[CH2:43].[Br:9][c:10]1[cH:11][cH:12][c:13]([CH:20]=[N:21][OH:22])[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]12.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:1][N:2]1[C:3](=[O:4])[CH2:5][CH2:6][C:7]1=[O:8].[Cl:23][c:24]1[cH:25][c:26]([Cl:36])[cH:27][c:28]([C:30](=[CH2:31])[C:32]([F:33])([F:34])[F:35])[cH:29]1.[F:44].[OH2:57]>>[Br:9][c:10]1[cH:11][cH:12][c:13]([C:20]2=[N:21][O:22][C:30]([c:28]3[cH:27][c:26]([Cl:36])[cH:25][c:24]([Cl:23])[cH:29]3)([C:32]([F:33])([F:34])[F:35])[CH2:31]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]12

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 14917Hydrofluoric AcidHCID 31398ChlorosuccinimideHCID 2726961-Propene, 2-bromo-3,3,3-trifluoro-HCID 231598231,3-Dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzeneHCID 74016047(E)-4-bromo-1-naphthaldehyde oxime

Product 1

HCID 866452773-(4-Bromo-1-naphthalenyl)-5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)isoxazole

Sources & evidence

ORD record
ord-e94b5315b5fc458b91172f538f7faff5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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