Acetic Acid → HCID 21250080, compound

HRID 214136Notes

Reaction equation

HRID 214136 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]3[c:16]([c:17]2[n:18][cH:19]1)[N:15]=[CH:14][CH:13]([N+:20](=[O:21])[O-:22])[C:12]3=[O:23].[CH3:26][C:27](=[O:28])[OH:29].[Na+:25].[OH-:24].[OH2:30]>>[O:3]=[C:4]([OH:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]3[c:16]([c:17]2[n:18][cH:19]1)[N:15]=[CH:14][CH:13]([N+:20](=[O:21])[O-:22])[C:12]3=[O:23]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 21250121HCID 21250121, compound

Product 1

HCID 21250080HCID 21250080, compound

Sources & evidence

ORD record
ord-e9277c9cf058486dbab463b7e33602ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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