Ibuprofen, (+-)- → Ibuprofen, (+-)-

HRID 2154837Notes

Reaction equation

HRID 2154837 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8]([CH2:9][CH3:10])([OH:11])[NH2:12].[CH3:13][CH:14]([CH3:15])[CH2:16][c:17]1[cH:18][cH:19][c:20]([CH:23]([CH3:24])[C:25]([OH:26])=[O:27])[cH:21][cH:22]1.[CH3:28][CH2:29][O:30][C:31](=[O:32])[CH3:33].[CH3:37][N:38]([c:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1)[CH3:45].[Cl:34][CH2:35][Cl:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8]([CH2:9][CH3:10])([OH:11])[NH2:12].[CH3:13][CH:14]([CH3:15])[CH2:16][c:17]1[cH:18][cH:19][c:20]([CH:23]([CH3:24])[C:25](=[O:26])[OH:27])[cH:21][cH:22]1

Participants

7

Reactant 5

HCID 3672Ibuprofen, (+-)-HCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 23149331t-Butoxycarbonyl-aminopropanol

Product 2

HCID 3672Ibuprofen, (+-)-HCID 23149331t-Butoxycarbonyl-aminopropanol

Sources & evidence

ORD record
ord-876577788eec4ae2a636c56563146ef3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…