Acetic Acid → HCID 178438844, compound

HRID 1117075Notes

Reaction equation

HRID 1117075 reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]2[o:8][c:9]3[cH:10][c:11]([C:20]#[N:21])[c:12]([NH2:19])[n:13][c:14]3[c:15](=[O:18])[c:16]2[cH:17]1.[Na+:22].[O-:23][N+:24](=[O:25])[O-:26].[OH2:27]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]2[o:8][c:9]3[cH:10][c:11]([C:20]#[N:21])[c:12]([OH:23])[n:13][c:14]3[c:15](=[O:18])[c:16]2[cH:17]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 943NitrateHCID 962WaterHCID 20561050HCID 20561050, compound

Product 1

HCID 178438844HCID 178438844, compound

Sources & evidence

ORD record
ord-75f4d5a6a6cc4ff68c3426541af08269
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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