Potassium Cation → Mesotrione

HRID 2326600Notes

Reaction equation

HRID 2326600 reaction equation
[C:21]1(=[O:28])[CH2:22][C:23](=[O:27])[CH2:24][CH2:25][CH2:26]1.[C:29](=[O:30])([O-:31])[O-:32].[CH3:35][C:36]#[N:37].[K+:33].[K+:34].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:6](=[O:7])[n:8]2[cH:9][n:10][cH:11][n:12]2)[cH:13][cH:14][c:15]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:16]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:6](=[O:7])[CH:22]2[C:21](=[O:28])[CH2:26][CH2:25][CH2:24][C:23]2=[O:27])[cH:13][cH:14][c:15]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:16]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 104341,3-CyclohexanedioneHCID 19660Carbonate IonHCID 22005920HCID 22005920, compound

Product 1

HCID 175967Mesotrione

Sources & evidence

ORD record
ord-705c00b0429d48e58eaf7008b8da1247
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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