Acetic Acid → HCID 54508268, compound

HRID 2322066Notes

Reaction equation

HRID 2322066 reaction equation
[Br-:32].[CH3:33][Mg+:34].[CH3:37][C:38](=[O:39])[OH:40].[Cl-:35].[N+:1](=[O:2])([O-:3])[CH2:4][CH:5]1[CH:6]([CH:23]=[CH:24][C:25]([CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])=[O:31])[CH:7]([CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][C:20](=[O:21])[OH:22])[C:8]2([O:9][CH2:10][CH2:11][O:12]2)[CH2:13]1.[NH4+:36].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[N+:1](=[O:2])([O-:3])[CH2:4][CH:5]1[CH:6]([CH:23]=[CH:24][C:25]([CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])([OH:31])[CH3:37])[CH:7]([CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][C:20](=[O:21])[OH:22])[C:8]2([O:9][CH2:10][CH2:11][O:12]2)[CH2:13]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 8028TetrahydrofuranHCID 70607475HCID 70607475, compoundHCID 178477777HCID 178477777, compound

Product 1

HCID 54508268HCID 54508268, compound

Sources & evidence

ORD record
ord-c9fd1feffd1a4bb6a1a07dacfa75ca7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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