Acetic Acid → 2-(4-Fluorophenoxy)-5-nitro-α-oxobenzenepropanoic acid

HRID 110050Notes

Reaction equation

HRID 110050 reaction equation
[C:20]([O-:21])([OH:22])=[O:23].[C:25]([NH:26][CH2:28][C:29]([OH:30])=[O:31])(=[O:27])[CH3:32].[CH3:33][C:34]([O:35][C:36](=[O:37])[CH3:38])=[O:39].[CH3:42][C:43](=[O:44])[OH:45].[ClH:40].[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[c:8]([CH:9]=[O:10])[cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]2)[cH:18][cH:19]1.[K+:24].[OH2:41]>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[c:8]([CH2:9][C:25]([C:20]([OH:21])=[O:23])=[O:27])[cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]2)[cH:18][cH:19]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 813Potassium CationHCID 962WaterHCID 7918Acetic AnhydrideHCID 10972AcetylglycineHCID 22767921HCID 22767921, compound

Product 1

HCID 214270062-(4-Fluorophenoxy)-5-nitro-α-oxobenzenepropanoic acid

Sources & evidence

ORD record
ord-0c54265120c6441cb8863783158ed7bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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