Acetic Acid → HCID 501121, compound

HRID 2140209Notes

Reaction equation

HRID 2140209 reaction equation
[C:21]([O:22][OH:24])(=[O:23])[CH3:25].[CH3:33][C:34](=[O:35])[OH:36].[Cl:1][c:2]1[c:3]([N+:18](=[O:19])[O-:20])[cH:4][c:5]([CH2:8][S:9](=[O:10])[c:11]2[n+:12]([O-:17])[cH:13][cH:14][cH:15][cH:16]2)[cH:6][cH:7]1.[Na+:31].[OH2:32].[S:26](=[O:27])(=[O:28])([OH:29])[O-:30]>>[Cl:1][c:2]1[c:3]([N+:18](=[O:19])[O-:20])[cH:4][c:5]([CH2:8][S:9](=[O:10])([c:11]2[n+:12]([O-:17])[cH:13][cH:14][cH:15][cH:16]2)=[O:23])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 6585Peracetic AcidHCID 61778Sulfate, hydrogenHCID 22054754HCID 22054754, compound

Product 1

HCID 501121HCID 501121, compound

Sources & evidence

ORD record
ord-f0ec21cac0b54da19640197520036b96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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