Acetic Acid → 4-Chloro-1-ethyl-2-iodobenzene

HRID 1547352Notes

Reaction equation

HRID 1547352 reaction equation
[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:46][C:47](=[O:48])[OH:49].[CH3:8][C:9]([O:10][C:11](=[O:12])[CH3:13])=[O:14].[Cl-:38].[Cl:20][c:21]1[cH:22][cH:23][c:24]([CH2:27][CH3:28])[cH:25][cH:26]1.[I+3:1]([O-:2])([O-:3])([O-:4])[O-:5].[I:7].[Na+:33].[Na+:34].[Na+:36].[Na+:37].[Na+:6].[OH-:35].[OH2:39].[S:15](=[O:16])(=[O:17])([OH:18])[OH:19].[S:29]([O-:30])([O-:31])=[O:32]>>[I:1][c:23]1[cH:22][c:21]([Cl:20])[cH:26][cH:25][c:24]1[CH2:27][CH3:28]

Participants

13

Reactant 12

HCID 176Acetic AcidHCID 312ChlorideHCID 923Sodium ion5×HCID 961HydroxideHCID 962WaterHCID 1099SulfiteHCID 1118Sulfuric AcidHCID 7918Acetic AnhydrideHCID 8857Ethyl AcetateHCID 24841Hydrogen iodideHCID 693301-Chloro-4-ethylbenzeneHCID 167232Periodate

Product 1

HCID 689846134-Chloro-1-ethyl-2-iodobenzene

Sources & evidence

ORD record
ord-71c1479f76ac4e708436f787e2f08e44
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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