Chloride → 2-(4-Isobutylphenyl)propionic acid-p-methylbenzyl ester

HRID 89140

Reaction equation

HRID 89140 reaction equation
[CH2:2]([CH:3]([CH3:4])[CH3:5])[c:6]1[cH:7][cH:8][c:9]([CH:12]([C:13](=[O:14])[OH:15])[CH3:16])[cH:10][cH:11]1.[CH3:17][c:18]1[cH:19][cH:20][c:21]([CH2:22][OH:23])[cH:24][cH:25]1.[CH3:26][N:27]([CH3:28])[CH3:29].[Cl-:1].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH2:30]>>[CH2:2]([CH:3]([CH3:4])[CH3:5])[c:6]1[cH:7][cH:8][c:9]([CH:12]([C:13]([O:14][CH2:22][c:21]2[cH:20][cH:19][c:18]([CH3:17])[cH:25][cH:24]2)=[O:15])[CH3:16])[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 962WaterHCID 1146TrimethylamineHCID 3672Ibuprofen, (+-)-HCID 8028TetrahydrofuranHCID 115054-Methylbenzyl alcohol

Product 1

HCID 130346022-(4-Isobutylphenyl)propionic acid-p-methylbenzyl ester

Sources & evidence

ORD record
ord-2ad4b2bf0fa542e6a81f2364322ef240
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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