Acetic Acid → 4,5,6-Triethoxy-7-nitrophthalide

HRID 214728Notes

Reaction equation

HRID 214728 reaction equation
[CH2:5]([CH3:6])[O:7][c:8]1[c:9]2[c:14]([cH:15][c:16]([O:21][CH2:22][CH3:23])[c:17]1[O:18][CH2:19][CH3:20])[C:12](=[O:13])[O:11][CH2:10]2.[CH3:1][C:2](=[O:3])[OH:4].[OH2:28].[OH:24][N+:25]([O-:26])=[O:27]>>[CH2:5]([CH3:6])[O:7][c:8]1[c:9]2[c:14]([c:15]([N+:25](=[O:24])[O-:26])[c:16]([O:21][CH2:22][CH3:23])[c:17]1[O:18][CH2:19][CH3:20])[C:12](=[O:13])[O:11][CH2:10]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 944Nitric AcidHCID 962WaterHCID 133178834,5,6-Triethoxyphthalide

Product 1

HCID 64521774,5,6-Triethoxy-7-nitrophthalide

Sources & evidence

ORD record
ord-3c8ff075ac7248d0901b394fb88f9698
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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