Hydrochloric Acid → (4'-{1-ethyl-1-[4-(3-hydroxy-4,4-dimethyl-pentyl)-3-methyl-phenyl]-propyl}-3-fluoro-2'-methyl-biphenyl-4-yl)-acetic Acid

HRID 1550576Notes

Reaction equation

HRID 1550576 reaction equation
[CH3:44][OH:45].[CH3:4][O:5][C:6]([CH2:7][c:8]1[c:9]([F:41])[cH:10][c:11](-[c:14]2[c:15]([CH3:40])[cH:16][c:17]([C:20]([CH2:21][CH3:22])([c:23]3[cH:24][c:25]([CH3:37])[c:26]([CH2:29][CH2:30][CH:31]([C:32]([CH3:33])([CH3:34])[CH3:35])[OH:36])[cH:27][cH:28]3)[CH2:38][CH3:39])[cH:18][cH:19]2)[cH:12][cH:13]1)=[O:42].[ClH:43].[Na+:2].[OH-:1].[OH2:3]>>[O:5]=[C:6]([CH2:7][c:8]1[c:9]([F:41])[cH:10][c:11](-[c:14]2[c:15]([CH3:40])[cH:16][c:17]([C:20]([CH2:21][CH3:22])([c:23]3[cH:24][c:25]([CH3:37])[c:26]([CH2:29][CH2:30][CH:31]([C:32]([CH3:33])([CH3:34])[CH3:35])[OH:36])[cH:27][cH:28]3)[CH2:38][CH3:39])[cH:18][cH:19]2)[cH:12][cH:13]1)[OH:42]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 57709127HCID 57709127, compound

Product 1

HCID 15941991(4'-{1-ethyl-1-[4-(3-hydroxy-4,4-dimethyl-pentyl)-3-methyl-phenyl]-propyl}-3-fluoro-2'-methyl-biphenyl-4-yl)-acetic Acid

Sources & evidence

ORD record
ord-68c78945db514183b3dcad371649bf2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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