Acetic Acid → HCID 54732068, compound

HRID 1566219Notes

Reaction equation

HRID 1566219 reaction equation
[C:20]([O:21][OH:23])(=[O:22])[CH3:24].[CH3:25][C:26](=[O:27])[OH:28].[Cl:1][c:2]1[c:3]([CH2:4][S:5][c:6]2[c:7](=[O:14])[o:8][c:9]([CH3:13])[cH:10][c:11]2[OH:12])[cH:15][cH:16][c:17]([Cl:19])[cH:18]1.[OH2:29]>>[Cl:1][c:2]1[c:3]([CH2:4][S:5]([c:6]2[c:7](=[O:14])[o:8][c:9]([CH3:13])[cH:10][c:11]2[OH:12])=[O:22])[cH:15][cH:16][c:17]([Cl:19])[cH:18]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 6585Peracetic AcidHCID 54730047HCID 54730047, compound

Product 1

HCID 54732068HCID 54732068, compound

Sources & evidence

ORD record
ord-5a6a05451d1945aea160d3d725e2d95f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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