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

HRID 98316

Reaction equation

HRID 98316 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]([Cl:20])[cH:14][c:15]3[C:16]([CH3:18])([CH3:19])[CH2:17]2)[cH:5][cH:6][cH:7]1.[C:28](=[O:29])([O-:30])[O-:31].[CH3:34][S:35](=[O:36])[CH3:37].[Cu:38][I:39].[K+:32].[K+:33].[NH2:21][C:22]([C:23](=[O:24])[OH:25])([CH3:26])[CH3:27]>>[c:2]1([NH:21][C:22]([C:23](=[O:24])[OH:25])([CH3:26])[CH3:27])[cH:3][c:4]([CH:8]2[NH:9][c:10]3[cH:11][cH:12][c:13]([Cl:20])[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 672912592-(3-Bromophenyl)-6-chloro-4,4-dimethyl-1,2,3,4-tetrahydroquinoline

Product 1

HCID 569665722-[3-(6-Chloro-4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-2-yl)-phenylamino]-2-methyl-propionic acid

Sources & evidence

ORD record
ord-b3cc33ce4f5a4d5dbde7715589d292da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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