Ethanol → 3-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-phenyl]-2,2-dimethyl-propionic acid

HRID 1228099Notes

Reaction equation

HRID 1228099 reaction equation
[CH3:1][O:2][c:3]1[c:4]([C:17]([NH:18][CH2:19][c:20]2[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]2)=[O:30])[cH:5][c:6]([CH2:9][C:10]([C:11](=[O:12])[O:13][CH3:14])([CH3:15])[CH3:16])[cH:7][cH:8]1.[CH3:33][CH2:34][OH:35].[Na+:32].[OH-:31]>>[CH3:1][O:2][c:3]1[c:4]([C:17]([NH:18][CH2:19][c:20]2[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]2)=[O:30])[cH:5][c:6]([CH2:9][C:10]([C:11](=[O:12])[OH:13])([CH3:15])[CH3:16])[cH:7][cH:8]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 18678023Methyl 3-[4-methoxy-3-[N-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]-2,2-dimethylpropanoate

Product 1

HCID 98443733-[4-Methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-phenyl]-2,2-dimethyl-propionic acid

Sources & evidence

ORD record
ord-b0c72695bded40cea6ae67e7a7e97516
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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