Methanol → 8-Bromo-1-ethyl-7-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Reaction equation

[CH3:25][OH:26].[F:1][C:2]([F:3])([F:4])[C:21]([N:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:14][c:15]([Br:20])[c:16]([O:18][CH3:19])[cH:17]2)[CH:10]([CH2:12][CH3:13])[CH2:11]1)=[O:22].[Na+:24].[OH-:23]>>[NH:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:14][c:15]([Br:20])[c:16]([O:18][CH3:19])[cH:17]2)[CH:10]([CH2:12][CH3:13])[CH2:11]1

Participants

Reactant 4

HCID 887Methanol

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 22292824N-trifluoroacetyl-8-bromo-1-ethyl-7-methoxy-2,3,4,5tetrahydro-1H-3-benzazepine

Product 1

HCID 99940088-Bromo-1-ethyl-7-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Sources & evidence

ORD record: ord-6415adbf370249efa73e269e16569baf
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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