Chloride → ethyl 6-oxo-4-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylate

Reaction equation

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

Participants

Reactant 4

HCID 312Chloride3×

HCID 6587Nitroethane

HCID 104727Aluminum Cation

HCID 66702316Ethyl 3-phenyl-2-(thiophene-2-carbonyl)acrylate

Product 1

HCID 58245847ethyl 6-oxo-4-phenyl-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylate

Sources & evidence

ORD record: ord-9fc11d5cb5d34fbdbce525f62cf5afb7
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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