Bicarbonate Ion → 4-chloro-N-[2-(2-chloro-5-nitro-benzoyl)-5-methyl-pyridin-3-yl]-N-methoxymethyl-3-trifluoromethyl-benzenesulfonamide

HRID 2326996Notes

Reaction equation

HRID 2326996 reaction equation
[Cl:1][c:2]1[c:3]([C:34]([F:35])([F:36])[F:37])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH2:12][O:13][CH3:14])[c:15]2[c:16]([CH:22]([OH:23])[c:24]3[c:25]([Cl:33])[cH:26][cH:27][c:28]([N+:30](=[O:31])[O-:32])[cH:29]3)[n:17][cH:18][c:19]([CH3:21])[cH:20]2)[cH:6][cH:7]1.[Cl:50][CH2:51][Cl:52].[Na+:38].[Na+:39].[Na+:49].[O-:40][S:41]([O-:42])(=[S:43])=[O:44].[O-:45][C:46]([OH:47])=[O:48]>>[Cl:1][c:2]1[c:3]([C:34]([F:35])([F:36])[F:37])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH2:12][O:13][CH3:14])[c:15]2[c:16]([C:22](=[O:23])[c:24]3[c:25]([Cl:33])[cH:26][cH:27][c:28]([N+:30](=[O:31])[O-:32])[cH:29]3)[n:17][cH:18][c:19]([CH3:21])[cH:20]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 579422504-chloro-N-{2-[(2-chloro-5-nitro-phenyl)-hydroxy-methyl]-5-methyl-pyridin-3-yl}-N-methoxymethyl-3-trifluoromethyl-benzenesulfonamide

Product 1

HCID 579423084-chloro-N-[2-(2-chloro-5-nitro-benzoyl)-5-methyl-pyridin-3-yl]-N-methoxymethyl-3-trifluoromethyl-benzenesulfonamide

Sources & evidence

ORD record
ord-72c6c8bab153432a9a8275a6eb8eeacc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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