Hydrochloric Acid → 6-Fluoro-3,3-dimethyl-2-[3-(4-o-tolyl-piperazin-1-yl)-phenyl]-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid

HRID 678276Notes

Reaction equation

HRID 678276 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([F: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[c:28]([CH3:33])[cH:29][cH:30][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]([F: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[c:28]([CH3:33])[cH:29][cH:30][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 674425776-Fluoro-3,3-dimethyl-2-[3-(4-o-tolyl-piperazin-1-yl)-phenyl]-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid methyl ester

Product 1

HCID 534920386-Fluoro-3,3-dimethyl-2-[3-(4-o-tolyl-piperazin-1-yl)-phenyl]-1,2,3,4-tetrahydro-quinoline-8-carboxylic acid

Sources & evidence

ORD record
ord-3c45235305f746d3898aedd0772044be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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