Ethanol → 4-[5-(Tert-butoxycarbonylamino)-2-methyl-phenyl]benzoic acid

HRID 106937Notes

Reaction equation

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

Participants

Reactant 4

HCID 702Ethanol

HCID 923Sodium ion

HCID 961Hydroxide

HCID 598223705'-tert-Butoxycarbonylamino-2'-methyl-biphenyl-4-carboxylic acid ethyl ester

Product 1

HCID 598223484-[5-(Tert-butoxycarbonylamino)-2-methyl-phenyl]benzoic acid

Sources & evidence

ORD record: ord-fa56f363fd064846ae8b35d127c2fc55
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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