Chloride → Ethyl 3-(4-chlorophenyl)-3-oxopropanoate

HRID 1147755Notes

Reaction equation

HRID 1147755 reaction equation
[C:1]([CH2:2][C:3](=[O:4])[O-:5])(=[O:6])[O:7][CH2:8][CH3:9].[CH3:28][CH2:29][O:30][C:31](=[O:32])[CH3:33].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[Cl-:11].[Cl-:13].[K+:10].[Mg+2:12].[OH:14][C:15](=[O:16])[c:17]1[cH:18][cH:19][c:20]([Cl:21])[cH:22][cH:23]1.[S:24]([Cl:25])([Cl:26])=[O:27]>>[C:1]([CH2:2][C:3](=[O:5])[c:17]1[cH:18][cH:19][c:20]([Cl:21])[cH:22][cH:23]1)(=[O:6])[O:7][CH2:8][CH3:9]

Participants

11

Reactant 10

HCID 312Chloride2×HCID 813Potassium CationHCID 888Magnesium CationHCID 1140TolueneHCID 6228DimethylformamideHCID 63184-Chlorobenzoic AcidHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 24386Thionyl ChlorideHCID 3595298Propanedioic acid, monoethyl ester

Product 1

HCID 101336Ethyl 3-(4-chlorophenyl)-3-oxopropanoate

Sources & evidence

ORD record
ord-192bfb461ed645ea9c4b70c4d8f2585f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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