Sodium ion → 6-Chloro-3-cyano-2-(4-nitro-phenoxycarbonylmethyl)-pyridine 1-oxide

HRID 1149826Notes

Reaction equation

HRID 1149826 reaction equation
[CH3:44][C:45]#[N:46].[F:23][C:24]([S:25]([O:26][S:27]([C:29]([F:30])([F:31])[F:32])(=[O:33])=[O:34])(=[O:28])=[O:35])([F:36])[F:37].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([O:10][C:11]([CH2:12][c:13]2[n:14][c:15]([Cl:21])[cH:16][cH:17][c:18]2[C:19]#[N:20])=[O:22])[cH:8][cH:9]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([O:10][C:11]([CH2:12][c:13]2[n+:14]([O-:28])[c:15]([Cl:21])[cH:16][cH:17][c:18]2[C:19]#[N:20])=[O:22])[cH:8][cH:9]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 67749Trifluoromethanesulfonic anhydrideHCID 58972958(6-chloro-3-cyano-pyridin-2-yl)-acetic Acid 4-nitro-phenyl Ester

Product 1

HCID 589729596-Chloro-3-cyano-2-(4-nitro-phenoxycarbonylmethyl)-pyridine 1-oxide

Sources & evidence

ORD record
ord-fd2cb48dd4f74c47b54549c9c2056e50
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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