Dichloromethane → 4-((Azepan-4-yloxy)methyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazole

HRID 176548Notes

Reaction equation

HRID 176548 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([O:15][CH2:16][c:17]2[c:18](-[c:25]3[c:26]([Cl:32])[cH:27][cH:28][cH:29][c:30]3[Cl:31])[n:19][o:20][c:21]2[CH:22]2[CH2:23][CH2:24]2)[CH2:12][CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:7].[Cl:40][CH2:41][Cl:42].[OH:33][C:34]([C:35]([F:36])([F:37])[F:38])=[O:39]>>[NH:8]1[CH2:9][CH2:10][CH:11]([O:15][CH2:16][c:17]2[c:18](-[c:25]3[c:26]([Cl:32])[cH:27][cH:28][cH:29][c:30]3[Cl:31])[n:19][o:20][c:21]2[CH:22]2[CH2:23][CH2:24]2)[CH2:12][CH2:13][CH2:14]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 593693274-[5-Cyclopropyl-3-(2,6-dichloro-phenyl)-isoxazol-4-ylmethoxy]-azepane-1-carboxylic acid tert-butyl ester

Product 1

HCID 593693374-((Azepan-4-yloxy)methyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazole

Sources & evidence

ORD record
ord-7c40fe6be87e4949b552e296caec71d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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