Acetic Acid → HCID 53828689, compound

HRID 126635Notes

Reaction equation

HRID 126635 reaction equation
[C:15]([O:16][OH:18])(=[O:17])[CH3:19].[CH3:24][C:25](=[O:26])[OH:27].[CH:20]([OH:21])([CH3:22])[CH3:23].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][n:9][cH:10][cH:11][cH:12]2)[cH:13][cH:14]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][n+:9]([O-:17])[cH:10][cH:11][cH:12]2)[cH:13][cH:14]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 3776IsopropanolHCID 6585Peracetic AcidHCID 12673486HCID 12673486, compound

Product 1

HCID 53828689HCID 53828689, compound

Sources & evidence

ORD record
ord-bd7850d05836465192d1beff397a82c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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