Potassium Cation → 5-Cyano-2-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(2-nitro-benzenesulfonyl)-amino]-methyl}-benzoic acid methyl ester

HRID 2151715Notes

Reaction equation

HRID 2151715 reaction equation
[CH3:1][c:2]1[c:3]([CH2:9][NH:10][S:11](=[O:12])(=[O:13])[c:14]2[c:15]([N+:20](=[O:21])[O-:22])[cH:16][cH:17][cH:18][cH:19]2)[n:4][cH:5][c:6]([CH3:8])[cH:7]1.[CH3:23][O:24][C:25]([c:26]1[c:27]([CH2:34][Br:35])[cH:28][cH:29][c:30]([C:32]#[N:33])[cH:31]1)=[O:36].[CH3:43][C:44]#[N:45].[K+:37].[K+:38].[O-:39][C:40]([O-:41])=[O:42]>>[CH3:1][c:2]1[c:3]([CH2:9][N:10]([S:11](=[O:12])(=[O:13])[c:14]2[c:15]([N+:20](=[O:21])[O-:22])[cH:16][cH:17][cH:18][cH:19]2)[CH2:34][c:27]2[c:26]([C:25]([O:24][CH3:23])=[O:36])[cH:31][c:30]([C:32]#[N:33])[cH:29][cH:28]2)[n:4][cH:5][c:6]([CH3:8])[cH:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 17965928Methyl 2-(bromomethyl)-5-cyanobenzoateHCID 67272193N-(3,5-dimethyl-pyridin-2-ylmethyl)-2-nitro-benzenesulfonamide

Product 1

HCID 672721615-Cyano-2-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(2-nitro-benzenesulfonyl)-amino]-methyl}-benzoic acid methyl ester

Sources & evidence

ORD record
ord-a86189068123465b86777c0586d2a309
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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