Water → 5-[3,5-Bis(trifluoromethyl)phenyl]-3-(4-bromo-1-naphthalenyl)-4,5-dihydro-5-(trifluoromethyl)isoxazole

HRID 196530Notes

Reaction equation

HRID 196530 reaction equation
[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.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Cl:1][N:2]1[C:3](=[O:4])[CH2:5][CH2:6][C:7]1=[O:8].[F:23][C:24]([c:25]1[cH:26][c:27]([C:37]([F:38])([F:39])[F:40])[cH:28][c:29]([C:31](=[CH2:32])[C:33]([F:34])([F:35])[F:36])[cH:30]1)([F:41])[F:42].[OH2:55]>>[Br:9][c:10]1[cH:11][cH:12][c:13]([C:20]2=[N:21][O:22][C:31]([c:29]3[cH:28][c:27]([C:37]([F:38])([F:39])[F:40])[cH:26][c:25]([C:24]([F:23])([F:41])[F:42])[cH:30]3)([C:33]([F:34])([F:35])[F:36])[CH2:32]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]12

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 31398ChlorosuccinimideHCID 498208821,3-Bis(trifluoromethyl)-5-(1,1,1-trifluoroprop-2-en-2-yl)benzeneHCID 74016047(E)-4-bromo-1-naphthaldehyde oxime

Product 1

HCID 866462125-[3,5-Bis(trifluoromethyl)phenyl]-3-(4-bromo-1-naphthalenyl)-4,5-dihydro-5-(trifluoromethyl)isoxazole

Sources & evidence

ORD record
ord-140962e74edf4bba990cdbd90e128421
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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