Chloride → 5,6-Dihydroxy-4,7-dinitro-2-benzofuran-1(3H)-one

HRID 1221301Notes

Reaction equation

HRID 1221301 reaction equation
[Al+3:21].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[Cl-:20].[Cl-:22].[Cl-:23].[OH:1][c:2]1[c:3]([N+:17](=[O:18])[O-:19])[c:4]2[c:8]([c:9]([N+:13](=[O:14])[O-:15])[c:10]1[O:11][CH3:12])[C:7](=[O:16])[O:6][CH2:5]2.[cH:24]1[cH:25][cH:26][n:27][cH:28][cH:29]1>>[OH:1][c:2]1[c:3]([N+:17](=[O:18])[O-:19])[c:4]2[c:8]([c:9]([N+:13](=[O:14])[O-:15])[c:10]1[OH:11])[C:7](=[O:16])[O:6][CH2:5]2

Participants

6

Reactant 5

HCID 312Chloride3×HCID 1049PyridineHCID 8857Ethyl AcetateHCID 104727Aluminum CationHCID 86633446HCID 86633446, compound

Product 1

HCID 159832325,6-Dihydroxy-4,7-dinitro-2-benzofuran-1(3H)-one

Sources & evidence

ORD record
ord-a4fab8c7e4044ef6a9d8c85afa2b91ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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