Acetone → HCID 68867939, compound

HRID 105658Notes

Reaction equation

HRID 105658 reaction equation
[CH3:1][C:2]([CH2:3][NH:4][c:5]1[n:6][c:7]([C:14]#[C:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:8][cH:9][c:10]1[N+:11](=[O:12])[O-:13])([CH3:22])[CH3:23].[CH3:48][C:49](=[O:50])[CH3:51].[K+:40].[Mg+2:29].[Mn:35]([O-:36])(=[O:37])(=[O:38])=[O:39].[Na+:28].[Na+:45].[Na+:46].[O-:24][C:25]([OH:26])=[O:27].[O-:30][S:31]([O-:32])(=[O:33])=[O:34].[OH2:47].[S:41]([O-:42])([O-:43])=[O:44]>>[CH3:1][C:2]([CH2:3][NH:4][c:5]1[n:6][c:7]([C:14]([C:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[O:47])=[O:24])[cH:8][cH:9][c:10]1[N+:11](=[O:12])[O-:13])([CH3:22])[CH3:23]

Participants

11

Reactant 10

HCID 180AcetoneHCID 769Bicarbonate IonHCID 813Potassium CationHCID 888Magnesium CationHCID 923Sodium ion3×HCID 962WaterHCID 1099SulfiteHCID 1117Sulfate IonHCID 24401PermanganateHCID 68866633HCID 68866633, compound

Product 1

HCID 68867939HCID 68867939, compound

Sources & evidence

ORD record
ord-67f539b3e875453b832741f53b71a775
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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