Acetic Acid → HCID 178422122, compound

HRID 1219496Notes

Reaction equation

[C:40]([O:41][CH2:42][CH3:43])(=[O:44])[CH3:45].[CH2:37]([Cl:38])[Cl:39].[CH3:23][C:24](=[O:25])[OH:26].[Mn+2:52].[O:27]=[Cr:28](=[O:29])=[O:30].[OH2:36].[OH2:46].[OH:1][CH:2]1[CH:3]2[CH:4]3[CH2:5][CH2:6][C:7](=[O:22])[CH:8]=[C:9]3[CH2:10][CH:11]([CH3:21])[CH:12]2[CH:13]2[CH2:14][CH2:15][C:16](=[O:20])[C:17]2([CH3:18])[CH2:19]1.[S:31](=[O:32])(=[O:33])([OH:34])[OH:35].[S:47]([O-:48])([O-:49])(=[O:50])=[O:51]>>[O:1]=[C:2]1[CH:3]2[CH:4]3[CH2:5][CH2:6][C:7](=[O:22])[CH:8]=[C:9]3[CH2:10][CH:11]([CH3:21])[CH:12]2[CH:13]2[CH2:14][CH2:15][C:16](=[O:20])[C:17]2([CH3:18])[CH2:19]1

Participants

Reactant 9

HCID 176Acetic Acid

HCID 962Water2×

HCID 1117Sulfate Ion

HCID 1118Sulfuric Acid

HCID 6344Dichloromethane

HCID 8857Ethyl Acetate

HCID 14915Chromium Trioxide

HCID 27854Manganese(2+)

HCID 178422123HCID 178422123, compound

Product 1

HCID 178422122HCID 178422122, compound

Sources & evidence

ORD record: ord-f5f784fbced64480975307bfff1a5b38
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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