Benzoic Acid → 5-Nitrocyclohex-1-ene-1-carbaldehyde

HRID 137105Notes

Reaction equation

HRID 137105 reaction equation
[CH2:13]1[CH2:14][NH:15][CH2:16][CH2:17]1.[CH2:27]([Cl:28])[Cl:29].[N+:1](=[O:2])([O-:3])[CH:4]([CH2:5][CH2:6][CH:7]=[O:8])[CH2:9][CH2:10][CH:11]=[O:12].[OH:18][C:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)=[O:26]>>[N+:1](=[O:2])([O-:3])[CH:4]1[CH2:5][C:6]([CH:7]=[O:8])=[CH:11][CH2:10][CH2:9]1

Participants

5

Reactant 4

HCID 243Benzoic AcidHCID 6344DichloromethaneHCID 31268PyrrolidineHCID 109429314-nitroheptanedial

Product 1

HCID 575067495-Nitrocyclohex-1-ene-1-carbaldehyde

Sources & evidence

ORD record
ord-5184d686fe24499fb13deee31a2e636c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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