Hydrochloric Acid → 6-Chloro-3,3-dimethyl-2-[3-(4-methyl-piperazin-1-yl)-phenyl]-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid methyl ester

HRID 175862Notes

Reaction equation

HRID 175862 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([Cl:24])[cH:8][c:9]2[c:14]1[NH:13][CH:12]([c:15]1[cH:16][c:17]([Br:21])[cH:18][cH:19][cH:20]1)[C:11]([CH3:22])([CH3:23])[CH2:10]2.[CH3:25][N:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[CH3:33][N:34]([CH3:35])[CH2:36][C:37]([OH:38])=[O:39].[CH3:46][S:47](=[O:48])[CH3:49].[ClH:32].[Cu:50][I:51].[K+:44].[K+:45]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([Cl:24])[cH:8][c:9]2[c:14]1[NH:13][CH:12]([c:15]1[cH:16][c:17]([N:29]3[CH2:28][CH2:27][N:26]([CH3:25])[CH2:31][CH2:30]3)[cH:18][cH:19][cH:20]1)[C:11]([CH3:22])([CH3:23])[CH2:10]2

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 673N,N-DimethylglycineHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 531671-MethylpiperazineHCID 674420582-(3-Bromo-phenyl)-6-chloro-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid methyl ester

Product 1

HCID 674407496-Chloro-3,3-dimethyl-2-[3-(4-methyl-piperazin-1-yl)-phenyl]-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-c5f434806cdc4834b4eae45b2e96e881
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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