Acetic Acid → HCID 18789059, compound

HRID 170671Notes

Reaction equation

HRID 170671 reaction equation
[C:10]([CH3:11])([CH3:12])([CH3:13])[N:14]1[CH2:15][CH2:16][c:17]2[cH:18][n:19][c:20]3[n:21]([c:22]21)[n:23][cH:24][cH:25]3.[CH3:27][C:28](=[O:29])[OH:30].[OH2:26].[OH:1][N+:2]([O-:3])=[O:4].[S:5](=[O:6])(=[O:7])([OH:8])[OH:9]>>[O-:1][N+:2](=[O:4])[c:25]1[c:20]2[n:19][cH:18][c:17]3[c:22]([n:21]2[n:23][cH:24]1)[N:14]([C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:15][CH2:16]3

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 944Nitric AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 18789140HCID 18789140, compound

Product 1

HCID 18789059HCID 18789059, compound

Sources & evidence

ORD record
ord-66ab282cb81c4dfaa6643f8d1dad0f6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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