Dimethyl Sulfoxide → (2-Cyano-5-nitro-phenylamino)-acetic acid methyl ester

HRID 101401

Reaction equation

HRID 101401 reaction equation
[CH3:13][O:14][C:15]([CH2:16][NH2:17])=[O:18].[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:27][S:28]([CH3:29])=[O:30].[F:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1.[OH2:26]>>[c:2]1([NH:17][CH2:16][C:15]([O:14][CH3:13])=[O:18])[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 8471TriethylamineHCID 69221Glycine methyl esterHCID 27590482-Fluoro-4-nitrobenzonitrile

Product 1

HCID 67264411(2-Cyano-5-nitro-phenylamino)-acetic acid methyl ester

Sources & evidence

ORD record
ord-9191bd35420543e286294e0f5be51836
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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