Toluene → Ethyl 4,4,4-trichloro-2-(3-nitrophenylmethylene)-3-oxobutanoate

HRID 134458

Reaction equation

HRID 134458 reaction equation
[CH2:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:30][CH2:31][CH2:32][CH2:33][CH2:34][C:35](=[O:36])[OH:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl:12][C:13]([C:14]([CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20])=[O:21])([Cl:22])[Cl:23].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[O:8])[cH:9][cH:10][cH:11]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([CH:7]=[C:15]([C:14]([C:13]([Cl:12])([Cl:22])[Cl:23])=[O:21])[C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:9][cH:10][cH:11]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 74493-NitrobenzaldehydeHCID 8082PiperidineHCID 8892Hexanoic AcidHCID 77294Ethyl 4,4,4-trichloro-3-oxobutyrate

Product 1

HCID 54196727Ethyl 4,4,4-trichloro-2-(3-nitrophenylmethylene)-3-oxobutanoate

Sources & evidence

ORD record
ord-b5e0226c7ed14e54badbafdab69784ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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