Acetic Acid → HCID 23335425, compound

HRID 2349192Notes

Reaction equation

HRID 2349192 reaction equation
[C:16]([O:17][OH:19])(=[O:18])[CH3:20].[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][c:7]2[cH:8][n:9][cH:10][cH:11][cH:12]2)[cH:13][cH:14][cH:15]1.[CH3:25][C:26](=[O:27])[OH:28].[CH:21]([OH:22])([CH3:23])[CH3:24]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][c:7]2[cH:8][n+:9]([O-:18])[cH:10][cH:11][cH:12]2)[cH:13][cH:14][cH:15]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 3776IsopropanolHCID 6585Peracetic AcidHCID 12673488HCID 12673488, compound

Product 1

HCID 23335425HCID 23335425, compound

Sources & evidence

ORD record
ord-45377f1dbac64a17ac66101cbf64d30d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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