Chloride → ethyl N-(4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate

HRID 2128809Notes

Reaction equation

HRID 2128809 reaction equation
[CH2:36]([Mg+:37])[CH2:38][CH2:39][CH3:40].[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[O:7])[O:8][CH2:9][CH3:10])[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)=[O:18].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH:28]([NH:29][CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[Cl-:25].[Cl-:27].[Cl-:35].[Cl:19][O:20][C:21](=[O:22])[CH3:23].[Mg+2:26].[Na:24].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[S:41](=[O:42])(=[O:43])([OH:44])[OH:45]>>[C:3]([CH:4]([NH:5][C:6](=[O:7])[O:8][CH2:9][CH3:10])[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)(=[O:18])[CH2:21][Cl:25]

Participants

11

Reactant 10

HCID 312Chloride3×HCID 888Magnesium CationHCID 1118Sulfuric AcidHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 5360545SodiumHCID 12616564Chloro methylformateHCID 15761046Methyl 2-(ethoxycarbonylamino)-3-phenylpropanoateHCID 178448190HCID 178448190, compound

Product 1

HCID 17870737ethyl N-(4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate

Sources & evidence

ORD record
ord-ea496ed3784e41de881b33b17a1da882
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…