Acetic Acid → HCID 20375997, compound

HRID 2330306Notes

Reaction equation

HRID 2330306 reaction equation
[C:16]([O:17][OH:19])(=[O:18])[CH3:20].[CH3:25][C:26](=[O:27])[OH:28].[CH:21]([OH:22])([CH3:23])[CH3:24].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([C:14]#[N:15])[n:10][cH:11][cH:12][cH:13]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([C:14]#[N:15])[n+:10]([O-:18])[cH:11][cH:12][cH:13]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 3776IsopropanolHCID 6585Peracetic AcidHCID 12202662HCID 12202662, compound

Product 1

HCID 20375997HCID 20375997, compound

Sources & evidence

ORD record
ord-96117c1111f4439d87570fd9e63f6f0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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