Dimethyl Sulfoxide → 2-[3-(6-Cyano-4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-2-yl)-phenylamino]-2-methyl-propionic acid

HRID 1206854Notes

Reaction equation

HRID 1206854 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH:8]2[NH:9][c:10]3[cH:11][cH:12][c:13]([C:20]#[N:21])[cH:14][c:15]3[C:16]([CH3:18])([CH3:19])[CH2:17]2)[cH:5][cH:6][cH:7]1.[C:29](=[O:30])([O-:31])[O-:32].[CH3:35][S:36](=[O:37])[CH3:38].[Cu:39][I:40].[K+:33].[K+:34].[NH2:22][C:23]([C:24](=[O:25])[OH:26])([CH3:27])[CH3:28]>>[c:2]1([NH:22][C:23]([C:24](=[O:25])[OH:26])([CH3:27])[CH3:28])[cH:3][c:4]([CH:8]2[NH:9][c:10]3[cH:11][cH:12][c:13]([C:20]#[N:21])[cH:14][c:15]3[C:16]([CH3:18])([CH3:19])[CH2:17]2)[cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 6119Aminoisobutyric acidHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 67292111HCID 67292111, compound

Product 1

HCID 569666402-[3-(6-Cyano-4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-2-yl)-phenylamino]-2-methyl-propionic acid

Sources & evidence

ORD record
ord-86035a30d2e742f885ed9c6cce6d5b87
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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