Ethyl Acetate → Squaraine

HRID 1130999Notes

Reaction equation

HRID 1130999 reaction equation
[C:15]1(=[O:20])[CH2:16][C:17](=[O:19])[CH2:18]1.[CH3:21][CH2:22][O:23][C:24](=[O:25])[CH3:26].[CH:1]1([CH:7]([CH:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[NH2:14])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[C:15]1([OH:20])=[CH:16][C:17](=[O:19])[CH2:18]1.[CH:1]1([CH:7]([CH:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[NH3+:14])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

5

Reactant 3

HCID 8857Ethyl AcetateHCID 27357Cyclobutane-1,3-dioneHCID 10774245alpha-Cyclohexylcyclohexanemethanamine

Product 2

HCID 11829353SquaraineHCID 23171810Dicyclohexylmethylazanium

Sources & evidence

ORD record
ord-812f685f3166465d8082cba88cefc7be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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