Acetic Acid → 1,1-Dimethylethyl 2-bromo-4,5,7,8-tetrahydro-6H-thieno[2,3-d]azepine-6-carboxylate

Reaction equation

[Br:18][N:19]1[C:20](=[O:21])[CH2:22][CH2:23][C:24]1=[O:25].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([cH:15][cH:16][s:17]2)[CH2:13][CH2:14]1.[C:27]([OH:28])(=[O:29])[CH3:30].[CH:31]([Cl:32])([Cl:33])[Cl:34].[OH2:26]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([cH:15][c:16]([Br:18])[s:17]2)[CH2:13][CH2:14]1

Participants

Reactant 5

HCID 176Acetic Acid

HCID 962Water

HCID 6212Chloroform

HCID 67184N-bromobutanimide

HCID 57354994tert-Butyl 4H,5H,6H,7H,8H-thieno[2,3-d]azepine-6-carboxylate

Product 1

HCID 593025511,1-Dimethylethyl 2-bromo-4,5,7,8-tetrahydro-6H-thieno[2,3-d]azepine-6-carboxylate

Sources & evidence

ORD record: ord-be49ba3ec04346c5893d6ed3e8892cc3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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