Ethanol → [2-[(2-Ethoxy-3,4-dioxo-1-cyclobuten-1-yl)amino]ethyl]phosphonic acid diethyl ester

HRID 142759

Reaction equation

HRID 142759 reaction equation
[CH2:13]([CH3:14])[O:15][P:16]([O:17][CH2:18][CH3:19])(=[O:20])[CH2:21][CH2:22][NH2:23].[CH2:1]([O:2][c:4]1[c:5](=[O:12])[c:6](=[O:11])[c:7]1[O:8][CH2:9][CH3:10])[CH3:3].[CH3:24][CH2:25][OH:26]>>[c:4]1([NH:23][CH2:22][CH2:21][P:16]([O:15][CH2:13][CH3:14])([O:17][CH2:18][CH3:19])=[O:20])[c:5](=[O:12])[c:6](=[O:11])[c:7]1[O:8][CH2:9][CH3:10]

Participants

4

Reactant 3

HCID 702EthanolHCID 123228Diethyl squarateHCID 2733596Diethyl (2-aminoethyl)phosphonate

Product 1

HCID 10063672[2-[(2-Ethoxy-3,4-dioxo-1-cyclobuten-1-yl)amino]ethyl]phosphonic acid diethyl ester

Sources & evidence

ORD record
ord-4e4f90e0c9bb4c4aa925450fa99a2f3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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