Ethanol → 4-[5-[[1-[(2-Methylpropan-2-yl)oxycarbonyl]azetidine-2-carbonyl]amino]-2-(trifluoromethoxy)phenyl]benzoic acid

HRID 2160889Notes

Reaction equation

HRID 2160889 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:12]([NH:13][c:14]2[cH:15][c:16](-[c:25]3[cH:26][cH:27][c:28]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:29][cH:30]3)[c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]2)=[O:36])[CH2:10][CH2:11]1.[CH3:37][CH2:38][OH:39].[Na+:41].[OH-:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:12]([NH:13][c:14]2[cH:15][c:16](-[c:25]3[cH:26][cH:27][c:28]([C:31](=[O:32])[OH:33])[cH:29][cH:30]3)[c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]2)=[O:36])[CH2:10][CH2:11]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 67371808Tert-butyl 2-[[3-(4-ethoxycarbonylphenyl)-4-(trifluoromethoxy)phenyl]carbamoyl]azetidine-1-carboxylate

Product 1

HCID 673742144-[5-[[1-[(2-Methylpropan-2-yl)oxycarbonyl]azetidine-2-carbonyl]amino]-2-(trifluoromethoxy)phenyl]benzoic acid

Sources & evidence

ORD record
ord-c1d1f15fd4894abfb79aa260111d63ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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