1,2-Dichloroethane → 5-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(1-bromoethyl)phenyl]-5-trifluoromethyl-4,5-dihydroisoxazole
Reaction equation
[Br:32][N:33]1[C:34](=[O:35])[CH2:36][CH2:37][C:38]1=[O:39].[Cl:53][CH2:54][CH2:55][Cl:56].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]2([C:26]([F:27])([F:28])[F:29])[CH2:14][C:15]([c:18]3[cH:19][cH:20][c:21]([CH2:24][CH3:25])[cH:22][cH:23]3)=[N:16][O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:30])[F:31].[N:40]([C:41]([CH3:42])([CH3:43])[C:44]#[N:45])=[N:46][C:47]([CH3:48])([CH3:49])[C:50]#[N:51].[OH2:52]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]2([C:26]([F:27])([F:28])[F:29])[CH2:14][C:15]([c:18]3[cH:19][cH:20][c:21]([CH:24]([CH3:25])[Br:32])[cH:22][cH:23]3)=[N:16][O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:30])[F:31]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-cbba50ba2be14cd9b35469be74e2a262
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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