Nitric Acid → Dimethyl 3-hydroxy-4-nitrophthalate

HRID 124002Notes

Reaction equation

HRID 124002 reaction equation
[CH3:1][C:2]([O:3][C:4](=[O:5])[CH3:6])=[O:7].[CH3:27][C:28]#[N:29].[OH2:30].[OH:12][c:13]1[c:14]([C:23](=[O:24])[O:25][CH3:26])[c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][cH:21][cH:22]1.[OH:8][N+:9]([O-:10])=[O:11]>>[O-:8][N+:9](=[O:11])[c:22]1[c:13]([OH:12])[c:14]([C:23](=[O:24])[O:25][CH3:26])[c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][cH:21]1

Participants

6

Reactant 5

HCID 944Nitric AcidHCID 962WaterHCID 6342AcetonitrileHCID 7918Acetic AnhydrideHCID 12223651Dimethyl 3-hydroxyphthalate

Product 1

HCID 22272660Dimethyl 3-hydroxy-4-nitrophthalate

Sources & evidence

ORD record
ord-a7e5ac80a5d9426c93c9819c088337ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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