Ethyl Acetate → Acetic acid [(3,5-bis-chlorocarbonyl-2,4,6-triiodo-phenyl)-methyl-carbamoyl]-methyl ester

HRID 104587Notes

Reaction equation

HRID 104587 reaction equation
[C:18]([CH3:19])(=[O:20])[O:21][CH2:22][C:23](=[O:24])[Cl:25].[CH3:26][CH2:27][O:28][C:29](=[O:30])[CH3:31].[I:1][c:2]1[c:3]([C:4](=[O:5])[Cl:6])[c:7]([I:17])[c:8]([NH:15][CH3:16])[c:9]([I:14])[c:10]1[C:11](=[O:12])[Cl:13]>>[I:1][c:2]1[c:3]([C:4](=[O:5])[Cl:6])[c:7]([I:17])[c:8]([N:15]([CH3:16])[C:23]([CH2:22][O:21][C:18]([CH3:19])=[O:20])=[O:24])[c:9]([I:14])[c:10]1[C:11](=[O:12])[Cl:13]

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 26297Acetoxyacetyl chlorideHCID 214667042,4,6-Triiodo-5-(methylamino)-1,3-benzenedicarbonyl dichloride

Product 1

HCID 53903191Acetic acid [(3,5-bis-chlorocarbonyl-2,4,6-triiodo-phenyl)-methyl-carbamoyl]-methyl ester

Sources & evidence

ORD record
ord-0d8c0aa9aa7c4469b678948a65450fb3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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