Acetic Acid → HCID 54267887, compound

HRID 2130412Notes

Reaction equation

HRID 2130412 reaction equation
[C:35]([OH:36])(=[O:37])[CH3:38].[N+:20](=[O:21])([O-:22])[c:23]1[cH:24][cH:25][c:26]([CH:28]=[O:29])[s:27]1.[OH2:39].[S:30](=[O:31])(=[O:32])([OH:33])[OH:34].[n:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][c:11]3[c:16]([cH:17][cH:18]2)[C:15](=[O:19])[CH2:14][CH2:13][CH2:12]3)[cH:2][n:3][cH:4][cH:5]1>>[n:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][c:11]3[c:16]([cH:17][cH:18]2)[C:15](=[O:19])[C:14](=[CH:28][c:26]2[cH:25][cH:24][c:23]([N+:20](=[O:21])[O-:22])[s:27]2)[CH2:13][CH2:12]3)[cH:2][n:3][cH:4][cH:5]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 782815-Nitrothiophene-2-carboxaldehydeHCID 154869126-(2-Imidazole-1-yl-ethoxy)-3,4-dihydro-2H-naphthalen-1-one

Product 1

HCID 54267887HCID 54267887, compound

Sources & evidence

ORD record
ord-e1c67910ca634f97bbd810dfb1d558b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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