Chloride → 1,1-Dimethylethyl 4-cyano-β-oxobenzenepropanoate

HRID 134447Notes

Reaction equation

HRID 134447 reaction equation
[C:10](#[N:11])[c:12]1[cH:13][cH:14][c:15]([C:16](=[O:17])[Cl:18])[cH:19][cH:20]1.[C:21]([CH2:22][C:23]([CH3:24])=[O:25])(=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31].[CH2:32]([Cl:33])[Cl:34].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[Cl-:7].[Cl-:9].[Mg+2:8].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1>>[C:10](#[N:11])[c:12]1[cH:13][cH:14][c:15]([C:16](=[O:17])[CH2:22][C:21](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[cH:19][cH:20]1

Participants

8

Reactant 7

HCID 312Chloride2×HCID 888Magnesium CationHCID 1049PyridineHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 15538Tert-butyl acetoacetateHCID 801724-Cyanobenzoyl chloride

Product 1

HCID 218353831,1-Dimethylethyl 4-cyano-β-oxobenzenepropanoate

Sources & evidence

ORD record
ord-5d7e8c2173de4433bce13ae5af2a4976
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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