Hydrochloric Acid → 3,3-Dimethyl-2-{3-[methyl-(2-methylamino-ethyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

HRID 208022Notes

Reaction equation

HRID 208022 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](=[O:21])[OH:22])[cH:14][c:15]3[CH2:16][C:17]2([CH3:18])[CH3:19])[cH:5][cH:6][cH:7]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:23][NH:24][CH2:25][CH2:26][NH:27][CH3:28].[CH3:30][N:31]([CH3:32])[CH2:33][C:34]([OH:35])=[O:36].[CH3:43][S:44](=[O:45])[CH3:46].[ClH:29].[Cu:47][I:48].[K+:41].[K+:42]>>[c:2]1([N:24]([CH3:23])[CH2:25][CH2:26][NH:27][CH3:28])[cH:3][c:4]([CH:8]2[NH:9][c:10]3[cH:11][cH:12][c:13]([C:20](=[O:21])[OH:22])[cH:14][c:15]3[CH2:16][C:17]2([CH3:18])[CH3:19])[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 673N,N-DimethylglycineHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 8070N,N'-DimethylethylenediamineHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 584761942-(3-Bromophenyl)-3,3-dimethyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

Product 1

HCID 534921783,3-Dimethyl-2-{3-[methyl-(2-methylamino-ethyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

Sources & evidence

ORD record
ord-17c5fc6a2f0a46e089226d5310be4213
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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