Acetic Acid → (2,6-Dimethyl-4-nitro-phenyl)-carbamic acid propyl ester

HRID 98854Notes

Reaction equation

HRID 98854 reaction equation
[CH2:5]([CH2:6][CH3:7])[O:8][C:9]([NH:10][c:11]1[c:12]([CH3:18])[cH:13][cH:14][cH:15][c:16]1[CH3:17])=[O:19].[CH3:20][C:21](=[O:22])[OH:23].[N:24]([O-:25])=[O:26].[Na+:27].[OH2:28].[OH:1][N+:2]([O-:3])=[O:4]>>[O-:1][N+:2](=[O:4])[c:14]1[cH:13][c:12]([CH3:18])[c:11]([NH:10][C:9]([O:8][CH2:5][CH2:6][CH3:7])=[O:19])[c:16]([CH3:17])[cH:15]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 944Nitric AcidHCID 946NitriteHCID 962WaterHCID 5140633(2,6-Dimethyl-phenyl)-carbamic acid propyl ester

Product 1

HCID 68709792(2,6-Dimethyl-4-nitro-phenyl)-carbamic acid propyl ester

Sources & evidence

ORD record
ord-73fad56ba59b46749eb984d489dfaafa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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