Ethanol → 4-[2-Chloro-5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]phenyl]benzoic acid

HRID 295346Notes

Reaction equation

HRID 295346 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:13]([NH:14][c:15]2[cH:16][c:17](-[c:22]3[cH:23][cH:24][c:25]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:26][cH:27]3)[c:18]([Cl:21])[cH:19][cH:20]2)=[O:33])[CH2:10][CH2:11][CH2:12]1.[CH3:36][CH2:37][OH:38].[Na+:35].[OH-:34]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:13]([NH:14][c:15]2[cH:16][c:17](-[c:22]3[cH:23][cH:24][c:25]([C:28](=[O:29])[OH:30])[cH:26][cH:27]3)[c:18]([Cl:21])[cH:19][cH:20]2)=[O:33])[CH2:10][CH2:11][CH2:12]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 67374246Tert-butyl 2-[[4-chloro-3-(4-ethoxycarbonylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Product 1

HCID 673728224-[2-Chloro-5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]phenyl]benzoic acid

Sources & evidence

ORD record
ord-0872d4103e1841f4bcf4a4077caf1d4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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