Acetic Acid → (2,4-Dihydroxy-3,3-dimethylbutyl) 4-nitrobenzoate

HRID 295616Notes

Reaction equation

HRID 295616 reaction equation
[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:35][C:36](=[O:37])[OH:38].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][CH2:11][CH:12]2[O:13][CH:14]([c:20]3[cH:21][cH:22][c:23]([O:24][CH3:25])[cH:26][cH:27]3)[O:15][CH2:16][C:17]2([CH3:18])[CH3:19])[cH:28][cH:29]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][CH2:11][CH:12]([OH:13])[C:17]([CH2:16][OH:15])([CH3:18])[CH3:19])[cH:28][cH:29]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 178489200HCID 178489200, compound

Product 1

HCID 66753337(2,4-Dihydroxy-3,3-dimethylbutyl) 4-nitrobenzoate

Sources & evidence

ORD record
ord-6ace7c5d3f5046a68649f93b1379e035
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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