Acetonitrile → Impurity E of MESOTRIONE

HRID 112763Notes

Reaction equation

HRID 112763 reaction equation
[CH3:34][C:35]#[N:36].[CH:25]([N:26]([CH:27]([CH3:28])[CH3:29])[CH2:30][CH3:31])([CH3:32])[CH3:33].[Cl:1][C:2]1=[CH:3][C:4](=[O:8])[CH2:5][CH2:6][CH2:7]1.[N+:9](=[O:10])([O-:11])[c:12]1[c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18][c:19]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:20]1>>[C:2]1([O:16][C:14]([c:13]2[c:12]([N+:9](=[O:10])[O-:11])[cH:20][c:19]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:18][cH:17]2)=[O:15])=[CH:3][C:4](=[O:8])[CH2:5][CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 184292Benzoic acid, 4-(methylsulfonyl)-2-nitro-HCID 5683453-Chlorocyclohex-2-en-1-one

Product 1

HCID 22005919Impurity E of MESOTRIONE

Sources & evidence

ORD record
ord-974f85812a2c4fbbb5c207e3ad7786e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…