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

HRID 214838Notes

Reaction equation

HRID 214838 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([Cl:36])[cH:8][c:9]2[c:14]1[NH:13][CH:12]([c:15]1[cH:16][c:17]([N:21]3[CH2:22][CH2:23][N:24]([c:27]4[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]4)[CH2:25][CH2:26]3)[cH:18][cH:19][cH:20]1)[C:11]([CH3:34])([CH3:35])[CH2:10]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:2]=[C:3]([OH:4])[c:5]1[cH:6][c:7]([Cl:36])[cH:8][c:9]2[c:14]1[NH:13][CH:12]([c:15]1[cH:16][c:17]([N:21]3[CH2:22][CH2:23][N:24]([c:27]4[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]4)[CH2:25][CH2:26]3)[cH:18][cH:19][cH:20]1)[C:11]([CH3:34])([CH3:35])[CH2:10]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 674426056-Chloro-2-{3-[4-(4-chloro-phenyl)-piperazin-1-yl]-phenyl}-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid methyl ester

Product 1

HCID 674411956-Chloro-2-{3-[4-(4-chloro-phenyl)-piperazin-1-yl]-phenyl}-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid

Sources & evidence

ORD record
ord-62aeeaf76d4b4b14ab5051326c8f6a71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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