Hydrochloric Acid → 6-[4-({[5-Cyclobutyl-3-(3,5-dichloro-4-pyridinyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid

HRID 151415Notes

Reaction equation

HRID 151415 reaction equation
[CH3:48][OH:49].[CH:1]1([c:5]2[c:6]([CH2:18][O:19][c:20]3[cH:21][cH:22][c:23](-[c:26]4[cH:27][c:28]5[cH:29][cH:30][c:31]([C:36](=[O:37])[O:38][CH3:39])[n:32][c:33]5[cH:34][cH:35]4)[cH:24][cH:25]3)[c:7](-[c:10]3[c:11]([Cl:17])[cH:12][n:13][cH:14][c:15]3[Cl:16])[n:8][o:9]2)[CH2:2][CH2:3][CH2:4]1.[ClH:47].[Na+:46].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:45]>>[CH:1]1([c:5]2[c:6]([CH2:18][O:19][c:20]3[cH:21][cH:22][c:23](-[c:26]4[cH:27][c:28]5[cH:29][cH:30][c:31]([C:36](=[O:37])[OH:38])[n:32][c:33]5[cH:34][cH:35]4)[cH:24][cH:25]3)[c:7](-[c:10]3[c:11]([Cl:17])[cH:12][n:13][cH:14][c:15]3[Cl:16])[n:8][o:9]2)[CH2:2][CH2:3][CH2:4]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 59321527Methyl 6-[4-({[5-cyclobutyl-3-(3,5-dichloro-4-pyridinyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylate

Product 1

HCID 593215066-[4-({[5-Cyclobutyl-3-(3,5-dichloro-4-pyridinyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid

Sources & evidence

ORD record
ord-07a3f59ce8ca402f8577bf2e64f8b297
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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