Acetic Acid → HCID 178450392, compound

HRID 700157Notes

Reaction equation

HRID 700157 reaction equation
[CH2:6]([CH2:7][CH:8]([CH3:9])[CH3:10])[N:11]([C:12]([NH:13][CH2:14][CH2:15][Cl:16])=[O:17])[CH:18]([CH:19]1[CH:20]([OH:32])[CH:21]([OH:31])[CH:22]([OH:30])[CH:23]([O:24][CH2:25][CH2:26][CH2:27][CH3:28])[O:29]1)[OH:33].[CH3:39][C:40](=[O:41])[OH:42].[O-:1][N+:2]([N:3]=[O:4])=[O:5].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1>>[O:1]=[N:2][N:13]([C:12]([N:11]([CH2:6][CH2:7][CH:8]([CH3:9])[CH3:10])[CH:18]([CH:19]1[CH:20]([OH:32])[CH:21]([OH:31])[CH:22]([OH:30])[CH:23]([O:24][CH2:25][CH2:26][CH2:27][CH3:28])[O:29]1)[OH:33])=[O:17])[CH2:14][CH2:15][Cl:16]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 61526Nitrogen trioxideHCID 178450391HCID 178450391, compound

Product 1

HCID 178450392HCID 178450392, compound

Sources & evidence

ORD record
ord-ee1cc7435c854dcda3031e82be9f2f5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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