Nitromethane → 1-Bromomethyl-1,3,4,5-tetrahydro-7,8-dimethoxy-2-benzoxepin

HRID 1547201Notes

Reaction equation

HRID 1547201 reaction equation
[CH2:15]([O:16][CH:18]([O:17][CH2:21][CH3:22])[CH2:19][Br:20])[CH3:23].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:11][CH2:12][CH2:13][OH:14])[cH:6][cH:7][c:8]1[O:9][CH3:10].[N+:31]([CH3:32])([O-:33])=[O:34].[OH:24][C:25]([C:26]([F:27])([F:28])[F:29])=[O:30]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][c:8]1[O:9][CH3:10])[CH:18]([CH2:19][Br:20])[O:14][CH2:13][CH2:12][CH2:11]2

Participants

5

Reactant 4

HCID 6375NitromethaneHCID 6422Trifluoroacetic acidHCID 74852Ethane, 2-bromo-1,1-diethoxy-HCID 775283-(3',4'-Dimethoxyphenyl)-1-propanol

Product 1

HCID 126693281-Bromomethyl-1,3,4,5-tetrahydro-7,8-dimethoxy-2-benzoxepin

Sources & evidence

ORD record
ord-fc7d1bdc01b54d8398ce35e07c1f1e1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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