Ethanol → 3-(4-Aminomethyl-3-chlorophenyl)-5-(3,4,5-trichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole

HRID 696688Notes

Reaction equation

HRID 696688 reaction equation
[CH3:42][CH2:43][OH:44].[CH:38]([Cl:39])([Cl:40])[Cl:41].[Cl:1][c:2]1[c:3]([CH2:26][N:27]2[C:28](=[O:29])[c:30]3[cH:31][cH:32][cH:33][cH:34][c:35]3[C:36]2=[O:37])[cH:4][cH:5][c:6]([C:8]2=[N:9][O:10][C:11]([C:13]([F:14])([F:15])[F:16])([c:17]3[cH:18][c:19]([Cl:25])[c:20]([Cl:24])[c:21]([Cl:23])[cH:22]3)[CH2:12]2)[cH:7]1.[NH2:46][NH2:47].[OH2:45]>>[Cl:1][c:2]1[c:3]([CH2:26][NH2:27])[cH:4][cH:5][c:6]([C:8]2=[N:9][O:10][C:11]([C:13]([F:14])([F:15])[F:16])([c:17]3[cH:18][c:19]([Cl:25])[c:20]([Cl:24])[c:21]([Cl:23])[cH:22]3)[CH2:12]2)[cH:7]1

Participants

6

Reactant 5

HCID 702EthanolHCID 962WaterHCID 6212ChloroformHCID 9321HydrazineHCID 86761690N-[[2-chloro-4-[5-(3,4,5-trichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]phenyl]methyl]phthalimide

Product 1

HCID 446282993-(4-Aminomethyl-3-chlorophenyl)-5-(3,4,5-trichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole

Sources & evidence

ORD record
ord-86b76e7e3da14176b5a7a17936d3f1b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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