Dimethyl Sulfoxide → Methyl 1-(4-formyl-2-nitrophenyl)piperidine-4-carboxylate

Reaction equation

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

Participants

Reactant 6

HCID 679Dimethyl Sulfoxide

HCID 8857Ethyl Acetate

HCID 19660Carbonate Ion

HCID 855054-Chloro-3-nitrobenzaldehyde

HCID 104967Cesium cation2×

HCID 424914Methyl isonipecotate

Product 1

HCID 9111291Methyl 1-(4-formyl-2-nitrophenyl)piperidine-4-carboxylate

Sources & evidence

ORD record: ord-7f61d2cf2d9746ffb92935c96fe68e9d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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