Acetic Acid → Ethyl 2-acetyl-3-(3-chlorophenyl)acrylate

HRID 287553Notes

Reaction equation

HRID 287553 reaction equation
[C:10]([CH2:11][C:12](=[O:13])[CH3:14])(=[O:15])[O:16][CH2:17][CH3:18].[C:19]([OH:20])(=[O:21])[CH3:22].[CH2:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1.[CH2:29]1[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1.[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[Cl:1][c:2]1[cH:3][c:4]([CH:5]=[O:6])[cH:7][cH:8][cH:9]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:5]=[C:11]([C:10](=[O:15])[O:16][CH2:17][CH3:18])[C:12](=[O:13])[CH3:14])[cH:7][cH:8][cH:9]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 8078CyclohexaneHCID 8082PiperidineHCID 8857Ethyl AcetateHCID 8868Ethyl AcetoacetateHCID 114773-Chlorobenzaldehyde

Product 1

HCID 367058Ethyl 2-acetyl-3-(3-chlorophenyl)acrylate

Sources & evidence

ORD record
ord-613715e9eb084953805704721737cc87
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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