Acetic Acid → Phthalide

HRID 2341377Notes

Reaction equation

HRID 2341377 reaction equation
[CH3:26][C:27](=[O:28])[OH:29].[CH:16](=[O:17])[c:18]1[c:19]([CH:24]=[O:25])[cH:20][cH:21][cH:22][cH:23]1.[OH2:15].[OH:11][N+:12](=[O:13])[O-:14].[c:1]1([CH2:9][OH:10])[c:2]([CH2:7][OH:8])[cH:3][cH:4][cH:5][cH:6]1>>[c:1]12[c:2]([cH:3][cH:4][cH:5][cH:6]1)[C:7](=[O:8])[O:10][CH2:9]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 944Nitric AcidHCID 962WaterHCID 4807PhthalaldehydeHCID 691531,2-Benzenedimethanol

Product 1

HCID 6885Phthalide

Sources & evidence

ORD record
ord-887940572e9b489394a2bfcbeee585c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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