Acetic Acid → 2-Chloro-4-{3-chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(2-oxo-4-trifluoromethyl-1,2-dihydro-quinolin-6-yl)-propyl]-phenoxy}-benzonitrile

HRID 96674Notes

Reaction equation

HRID 96674 reaction equation
[CH3:47][C:48](=[O:49])[OH:50].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([O:10][c:11]2[cH:12][c:13]([Cl:43])[c:14]([CH:17]([C:18]([C:19]([F:20])([F:21])[F:22])([c:23]3[cH:24][c:25]4[c:26]([C:37]([F:38])([F:39])[F:40])[cH:27][c:28]([O:33][CH:34]([CH3:35])[CH3:36])[n:29][c:30]4[cH:31][cH:32]3)[OH:41])[CH3:42])[cH:15][cH:16]2)[cH:9]1.[ClH:44].[Na+:46].[OH-:45]>>[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([O:10][c:11]2[cH:12][c:13]([Cl:43])[c:14]([CH:17]([C:18]([C:19]([F:20])([F:21])[F:22])([c:23]3[cH:24][c:25]4[c:26]([C:37]([F:38])([F:39])[F:40])[cH:27][c:28](=[O:33])[nH:29][c:30]4[cH:31][cH:32]3)[OH:41])[CH3:42])[cH:15][cH:16]2)[cH:9]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 866458812-Chloro-4-{3-chloro-4-[3,3,3-trifluoro-2-hydroxy-2-(2-isopropoxy-4-trifluoromethyl-quinolin-6-yl)-1-methyl-propyl]-phenoxy}-benzonitrile

Product 1

HCID 866458822-Chloro-4-{3-chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(2-oxo-4-trifluoromethyl-1,2-dihydro-quinolin-6-yl)-propyl]-phenoxy}-benzonitrile

Sources & evidence

ORD record
ord-ea1237de55934e118e844a85a9f6cd45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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