Acetic Acid → Phthalide

HRID 2145658Notes

Reaction equation

HRID 2145658 reaction equation
[CH3:25][C:26](=[O:27])[OH:28].[CH:15]([c:16]1[c:17]([CH:18]=[O:19])[cH:20][cH:21][cH:22][cH:23]1)=[O:24].[OH2:14].[OH:10][N+:11](=[O:12])[O-:13].[c:1]12[c:5]([cH:6][cH:7][cH:8][cH:9]1)[CH2:4][O:3][CH2:2]2>>[CH2:15]1[c:16]2[c:17]([cH:20][cH:21][cH:22][cH:23]2)[C:18](=[O:19])[O:24]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 944Nitric AcidHCID 962WaterHCID 4807PhthalaldehydeHCID 103271,3-Dihydroisobenzofuran

Product 1

HCID 6885Phthalide

Sources & evidence

ORD record
ord-338e15da80b1460485268dca33d25edd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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