Dichloromethane → 7-Bromo-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one

HRID 2350722Notes

Reaction equation

HRID 2350722 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:12][CH2:13][CH2:14][NH:15][C:16](=[O:17])[O:18][C:7]([CH3:8])([CH3:9])[CH3:10])[c:6]([C:19]([O:20][CH3:21])=[O:22])[cH:11]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[Cl:37][CH2:38][Cl:39].[F:23][C:24]([F:25])([F:26])[C:27]([OH:28])=[O:29]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:11]1)[C:16](=[O:18])[NH:15][CH2:14][CH2:13][O:12]2

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 59403467Methyl 5-bromo-2-{[2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)ethyl]oxy}benzoate

Product 1

HCID 601249727-Bromo-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one

Sources & evidence

ORD record
ord-a19cf39efb4f4aa1a5b9fbb4684b03a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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