Sodium ion → 2-[4-bromo-5-chloro-2-(4,4-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonyl)-phenyl]-malonic acid dimethyl ester

HRID 687218Notes

Reaction equation

HRID 687218 reaction equation
[Br:12][c:13]1[c:14]([Cl:35])[cH:15][c:16]([F:34])[c:17]([S:19](=[O:20])(=[O:21])[N:22]2[CH2:23][CH2:24][C:25]([CH3:32])([CH3:33])[c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]32)[cH:18]1.[C:1]([CH2:2][C:3](=[O:4])[O:5][CH3:6])(=[O:7])[O:8][CH3:9].[H-:11].[Na+:10].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40]>>[C:1]([CH:2]([C:3](=[O:4])[O:5][CH3:6])[c:16]1[cH:15][c:14]([Cl:35])[c:13]([Br:12])[cH:18][c:17]1[S:19](=[O:20])(=[O:21])[N:22]1[CH2:23][CH2:24][C:25]([CH3:32])([CH3:33])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]21)(=[O:7])[O:8][CH3:9]

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 7943Dimethyl malonateHCID 166653HydrideHCID 684692731-(5-Bromo-4-chloro-2-fluoro-benzenesulfonyl)-4,4-dimethyl-1,2,3,4-tetrahydro-quinoline

Product 1

HCID 684691712-[4-bromo-5-chloro-2-(4,4-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonyl)-phenyl]-malonic acid dimethyl ester

Sources & evidence

ORD record
ord-0d2a295957e849fda4cba9ffac876491
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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