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

HRID 1548677Notes

Reaction equation

HRID 1548677 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14]([NH:15][c:16]2[cH:17][c:18](-[c:23]3[cH:24][cH:25][c:26]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:27][cH:28]3)[c:19]([Cl:22])[cH:20][cH:21]2)=[O:34])[CH2:10][CH2:11][CH2:12][CH2:13]1.[CH3:37][CH2:38][OH:39].[Na+:36].[OH-:35]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14]([NH:15][c:16]2[cH:17][c:18](-[c:23]3[cH:24][cH:25][c:26]([C:29](=[O:30])[OH:31])[cH:27][cH:28]3)[c:19]([Cl:22])[cH:20][cH:21]2)=[O:34])[CH2:10][CH2:11][CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 67372172Tert-butyl 2-[[4-chloro-3-(4-ethoxycarbonylphenyl)phenyl]carbamoyl]piperidine-1-carboxylate

Product 1

HCID 673730994-[2-Chloro-5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]phenyl]benzoic acid

Sources & evidence

ORD record
ord-526d2d4ed58b458ab5c5518ae4b754ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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