Acetic Acid → HCID 54056370, compound

HRID 2124331Notes

Reaction equation

HRID 2124331 reaction equation
[C:12]([CH2:13][CH2:14][CH3:15])(=[O:16])[CH2:17][C:18](=[O:19])[O:20][CH2:21][CH2:22][C:23]#[N:24].[CH2:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[CH3:31][C:32](=[O:33])[OH:34].[CH3:35][CH:36]([OH:37])[CH3:38].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]=[O:9])[cH:10][cH:11]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]=[C:17]([C:12]([CH2:13][CH2:14][CH3:15])=[O:16])[C:18](=[O:19])[O:20][CH2:21][CH2:22][C:23]#[N:24])[cH:10][cH:11]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 5414-NitrobenzaldehydeHCID 3776IsopropanolHCID 8082PiperidineHCID 23004047HCID 23004047, compound

Product 1

HCID 54056370HCID 54056370, compound

Sources & evidence

ORD record
ord-4aacd3aa46c14efe91e5dc9c90b58eab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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