Acetate → HCID 178468351, compound

HRID 1219465Notes

Reaction equation

[C:40](=[O:41])([O-:42])[O-:43].[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH2:12])[cH:13][cH:14]2)[CH2:6][CH2:7]1.[CH3:28][C:29]([CH2:30][C:31]([CH3:32])=[O:33])=[O:34].[CH3:36][C:37](=[O:38])[O-:39].[CH3:46][CH2:47][OH:48].[K+:35].[N:24]([O-:25])=[O:26].[Na+:27].[Na+:44].[Na+:45].[OH:20][N+:21](=[O:22])[O-:23].[P:15](=[O:16])([OH:17])([OH:18])[OH:19]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH:12][N:24]=[C:30]([C:29]([CH3:28])=[O:34])[C:31]([CH3:32])=[O:33])[cH:13][cH:14]2)[CH2:6][CH2:7]1

Participants

Reactant 10

HCID 175Acetate

HCID 702Ethanol

HCID 813Potassium Cation

HCID 923Sodium ion3×

HCID 944Nitric Acid

HCID 946Nitrite

HCID 1004Phosphoric Acid

HCID 19660Carbonate Ion

HCID 31261Acetylacetone

HCID 7372534-(4-Methylpiperazin-1-yl)aniline

Product 1

HCID 178468351HCID 178468351, compound

Sources & evidence

ORD record: ord-c7509d9b45514a43aeb3eaf133943a83
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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