Hydrochloric Acid → 2-[3-(2,5-Dioxo-piperazin-1-yl)-phenyl]-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

HRID 2318553Notes

Reaction equation

HRID 2318553 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:39](=[O:40])([O-:41])[O-:42].[CH3:32][N:33]([CH3:34])[CH2:35][C:36]([OH:37])=[O:38].[CH3:45][S:46](=[O:47])[CH3:48].[ClH:31].[Cu:49][I:50].[K+:43].[K+:44].[O:23]=[C:24]1[CH2:25][NH:26][C:27](=[O:28])[CH2:29][NH:30]1>>[c:2]1([N:26]2[CH2:25][C:24](=[O:23])[NH:30][CH2:29][C:27]2=[O: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 78172,5-PiperazinedioneHCID 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 584762612-[3-(2,5-Dioxo-piperazin-1-yl)-phenyl]-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

Sources & evidence

ORD record
ord-cebdab3bf8b04b9180e989ab87055e49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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