Acetic Acid → HCID 54396632, compound

HRID 166461Notes

Reaction equation

HRID 166461 reaction equation
[CH3:18][OH:19].[CH3:20][CH2:21][O:22][C:23](=[O:24])[CH3:25].[CH3:27][C:28](=[O:29])[OH:30].[CH3:5][O:6][C:7]([CH2:8][NH:9][c:10]1[cH:11][c:12]([Br:16])[cH:13][cH:14][cH:15]1)=[O:17].[N:1]([O-:2])=[O:3].[Na+:4].[OH2:26].[Zn:31]>>[NH2:1][N:9]([CH2:8][C:7]([O:6][CH3:5])=[O:17])[c:10]1[cH:11][c:12]([Br:16])[cH:13][cH:14][cH:15]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 8857Ethyl AcetateHCID 23994ZincHCID 19829819HCID 19829819, compound

Product 1

HCID 54396632HCID 54396632, compound

Sources & evidence

ORD record
ord-0516a185d7574be69d47cd76bcc157a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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