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

HRID 1139066Notes

Reaction equation

HRID 1139066 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[c:29]([CH3:35])[cH:30][c:31]([CH3:34])[cH:32][cH:33]4)[CH2:26][CH2:27]3)[cH:19][cH:20][cH:21]1)[C:10]([CH3:36])([CH3:37])[CH2:9]2.[CH3:43][OH:44].[ClH:42].[Li+:40].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH-:39].[OH2:38].[OH2:41]>>[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[c:29]([CH3:35])[cH:30][c:31]([CH3:34])[cH:32][cH:33]4)[CH2:26][CH2:27]3)[cH:19][cH:20][cH:21]1)[C:10]([CH3:36])([CH3:37])[CH2:9]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 674412112-{3-[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-phenyl}-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

Product 1

HCID 534920362-{3-[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-phenyl}-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

Sources & evidence

ORD record
ord-5a391432bd2446c58dc6c8e5037fd00c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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