Acetic Acid → HCID 135815263, compound

HRID 103723Notes

Reaction equation

HRID 103723 reaction equation
[CH3:1][C:2](=[O:3])[OH:4].[CH3:5][n:6]1[n:7][c:8]([CH2:27][CH2:28][CH3:29])[c:9]2[n:10][c:11]([CH2:16][c:17]3[cH:18][cH:19][c:20]([NH:23][C:24]([CH3:25])=[O:26])[cH:21][cH:22]3)[nH:12][c:13](=[O:15])[c:14]12.[OH:35][N+:36]([O-:37])=[O:38].[S:30](=[O:31])(=[O:32])([OH:33])[OH:34]>>[CH3:5][n:6]1[n:7][c:8]([CH2:27][CH2:28][CH3:29])[c:9]2[n:10][c:11]([CH2:16][c:17]3[cH:18][c:19]([N+:36](=[O:35])[O-:37])[c:20]([NH:23][C:24]([CH3:25])=[O:26])[cH:21][cH:22]3)[nH:12][c:13](=[O:15])[c:14]12

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 944Nitric AcidHCID 1118Sulfuric AcidHCID 135815269HCID 135815269, compound

Product 1

HCID 135815263HCID 135815263, compound

Sources & evidence

ORD record
ord-15fc4989c6c44ee0aa5838590329358c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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