Citric Acid → 3-Ethyl-5,5-dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid

HRID 2323099Notes

Reaction equation

HRID 2323099 reaction equation
[C:39]([Li:40])([CH3:41])([CH3:42])[CH3:43].[CH2:15]([CH3:16])[I:17].[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:18][OH:19].[CH3:1][C:2]1([CH3:14])[CH2:3][c:4]2[c:5]([c:6]([C:9](=[O:10])[OH:11])[s:7][cH:8]2)[CH2:12][CH2:13]1.[OH2:20].[OH:21][C:22]([CH2:23][C:24]([C:25](=[O:26])[OH:27])([CH2:28][C:29](=[O:30])[OH:31])[OH:32])=[O:33]>>[CH3:1][C:2]1([CH3:14])[CH2:3][c:4]2[c:5]([c:6]([C:9](=[O:10])[OH:11])[s:7][c:8]2[CH2:15][CH3:16])[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 887MethanolHCID 962WaterHCID 6340IodoethaneHCID 8028TetrahydrofuranHCID 57508882HCID 57508882, compoundHCID 178418306HCID 178418306, compound

Product 1

HCID 574374183-Ethyl-5,5-dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid

Sources & evidence

ORD record
ord-4fa7c37426c94b0ab3ca4352a2ab2a1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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