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

HRID 320538Notes

Reaction equation

HRID 320538 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[NH:12][CH:11]([c:16]1[cH:17][c:18]([N:22]3[CH2:23][CH2:24][N:25]([c:28]4[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]4)[CH2:26][CH2:27]3)[cH:19][cH:20][cH:21]1)[C:10]([CH3:35])([CH3:36])[CH2:9]2.[CH3:42][OH:43].[ClH:41].[Li+:39].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH-:38].[OH2:37].[OH2:40]>>[O:3]=[C:4]([OH:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[NH:12][CH:11]([c:16]1[cH:17][c:18]([N:22]3[CH2:23][CH2:24][N:25]([c:28]4[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]4)[CH2:26][CH2:27]3)[cH:19][cH:20][cH:21]1)[C:10]([CH3:35])([CH3:36])[CH2:9]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 674417182-{3-[4-(4-Chloro-phenyl)-piperazin-1-yl]-phenyl}-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

Product 1

HCID 584762472-{3-[4-(4-Chloro-phenyl)-piperazin-1-yl]-phenyl}-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

Sources & evidence

ORD record
ord-70c42ff0fffb4d33a14893b02ab2f8b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…