Ammonium → (RS)-5-(3-bromo-phenyl)-5-(4-difluoromethoxy-3-methyl-phenyl)-5,6-dihydro-2H-[1,4]oxazin-3-ylamine

HRID 2341888Notes

Reaction equation

[B-:26]([F:27])([F:28])([F:29])[F:30].[Br:1][c:2]1[cH:3][c:4]([C:8]2([c:15]3[cH:16][c:17]([CH3:25])[c:18]([O:21][CH:22]([F:23])[F:24])[cH:19][cH:20]3)[NH:9][C:10](=[O:14])[CH2:11][O:12][CH2:13]2)[cH:5][cH:6][cH:7]1.[CH3:31][O+:32]([CH3:33])[CH3:34].[Cl-:35].[Cl:37][CH2:38][Cl:39].[NH4+:36]>>[Br:1][c:2]1[cH:3][c:4]([C:8]2([c:15]3[cH:16][c:17]([CH3:25])[c:18]([O:21][CH:22]([F:23])[F:24])[cH:19][cH:20]3)[N:9]=[C:10]([NH2:36])[CH2:11][O:12][CH2:13]2)[cH:5][cH:6][cH:7]1

Participants

Reactant 6

HCID 223Ammonium

HCID 312Chloride

HCID 6344Dichloromethane

HCID 26255Tetrafluoroborate

HCID 93245Trimethyloxonium

HCID 68153695(RS)-5-(3-bromo-phenyl)-5-(4-difluoromethoxy-3-methyl-phenyl)-morpholin-3-one

Product 1

HCID 68153667(RS)-5-(3-bromo-phenyl)-5-(4-difluoromethoxy-3-methyl-phenyl)-5,6-dihydro-2H-[1,4]oxazin-3-ylamine

Sources & evidence

ORD record: ord-90f4d884991c4779ab2379d2e0971983
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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