Benzene → Methyl 2-(2-chlorobenzylidene)-4,4-dimethoxy-3-oxovalerate

Reaction equation

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

Participants

Reactant 4

HCID 241Benzene

HCID 69962-Chlorobenzaldehyde

HCID 8082Piperidine

HCID 5076552Methyl 4,4-dimethoxy-3-oxopentanoate

Product 1

HCID 54451845Methyl 2-(2-chlorobenzylidene)-4,4-dimethoxy-3-oxovalerate

Sources & evidence

ORD record: ord-a0902e60da59400aa62092c03b2770b6
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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