Benzoic Acid → 6-Bromo-2-(4-nitrophenyl)-1,3-benzodioxan

HRID 302366

Reaction equation

HRID 302366 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([OH:10])[c:6]([CH2:7][OH:8])[cH:9]1.[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[N+:11](=[O:12])([O-:13])[c:14]1[cH:15][cH:16][c:17]([CH:18]=[O:19])[cH:20][cH:21]1.[OH:22][C:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)=[O:30]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:9]1)[CH2:7][O:8][CH:18]([c:17]1[cH:16][cH:15][c:14]([N+:11](=[O:12])[O-:13])[cH:21][cH:20]1)[O:10]2

Participants

5

Reactant 4

HCID 243Benzoic AcidHCID 5414-NitrobenzaldehydeHCID 8857Ethyl AcetateHCID 753425-Bromo-2-hydroxybenzyl alcohol

Product 1

HCID 189611956-Bromo-2-(4-nitrophenyl)-1,3-benzodioxan

Sources & evidence

ORD record
ord-c0e0f481fe704e739ef1e628ec592534
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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