Hydrochloric Acid → 2-[3-[4-(Trifluoromethyl)phenethyloxy]-4-methoxybenzyl]butyric acid

HRID 140296Notes

Reaction equation

HRID 140296 reaction equation
[CH2:1]([CH3:2])[CH:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[CH2:9][c:10]1[cH:11][c:12]([O:18][CH2:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]2)[c:13]([O:16][CH3:17])[cH:14][cH:15]1.[CH3:31][OH:32].[ClH:35].[Na+:34].[OH-:33].[OH2:36]>>[CH2:1]([CH3:2])[CH:3]([C:4](=[O:5])[OH:6])[CH2:9][c:10]1[cH:11][c:12]([O:18][CH2:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]2)[c:13]([O:16][CH3:17])[cH:14][cH:15]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 11144343Ethyl 2-ethyl-3-[4-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]propanoate

Product 1

HCID 111013452-[3-[4-(Trifluoromethyl)phenethyloxy]-4-methoxybenzyl]butyric acid

Sources & evidence

ORD record
ord-9cfb2cdb57324e6ab10ac9d142d93d11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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