Hydrochloric Acid → 2-(4'-Tert-butyl-5-fluoro-biphenyl-3-yl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

HRID 2318348

Reaction equation

HRID 2318348 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](-[c:23]3[cH:24][cH:25][c:26]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:27][cH:28]3)[cH:19][c:20]([F:22])[cH:21]1)[C:10]([CH3:33])([CH3:34])[CH2:9]2.[CH3:36][CH2:37][OH:38].[ClH:35].[Na+:45].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:44].[OH2:46]>>[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](-[c:23]3[cH:24][cH:25][c:26]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:27][cH:28]3)[cH:19][c:20]([F:22])[cH:21]1)[C:10]([CH3:33])([CH3:34])[CH2:9]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 674437852-(4'-Tert-butyl-5-fluoro-biphenyl-3-yl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

Product 1

HCID 674427452-(4'-Tert-butyl-5-fluoro-biphenyl-3-yl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

Sources & evidence

ORD record
ord-c1403cc5599942f8aeea68221b969421
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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