Acetic Acid → HCID 15838383, compound

HRID 1221957Notes

Reaction equation

HRID 1221957 reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[CH:1]1([n:6]2[n:7][cH:8][c:9]3[c:10]2[n:11][c:12](-[c:16]2[cH:17][cH:18][n:19][cH:20][cH:21]2)[n:13][c:14]3[NH2:15])[CH2:2][CH2:3][CH2:4][CH2:5]1.[Na+:27].[OH-:26].[OH:22][N+:23]([O-:24])=[O:25].[S:32](=[O:33])(=[O:34])([OH:35])[OH:36]>>[CH:1]1([n:6]2[n:7][c:8]([N+:23](=[O:22])[O-:24])[c:9]3[c:10]2[n:11][c:12](-[c:16]2[cH:17][cH:18][n:19][cH:20][cH:21]2)[n:13][c:14]3[NH2:15])[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 944Nitric AcidHCID 961HydroxideHCID 1118Sulfuric AcidHCID 15838397HCID 15838397, compound

Product 1

HCID 15838383HCID 15838383, compound

Sources & evidence

ORD record
ord-f5ed32068fc847c6a024cacd94526cc1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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