Acetone → HCID 135833463, compound

HRID 1212251Notes

Reaction equation

HRID 1212251 reaction equation
[C:41](=[O:42])([OH:43])[O-:44].[CH3:1][O:2][CH:3]([C:4]1=[C:5]([C:35](=[O:36])[O:37][CH3:38])[CH:6]([c:26]2[cH:27][c:28]([N+:32](=[O:33])[O-:34])[cH:29][cH:30][cH:31]2)[C:7]([c:11]2[n:12][c:13]([CH2:16][N:17]([CH3:18])[CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:14][o:15]2)=[C:8]([CH3:10])[NH:9]1)[O:39][CH3:40].[CH3:46][C:47](=[O:48])[CH3:49].[Na+:45]>>[O:2]=[CH:3][C:4]1=[C:5]([C:35](=[O:36])[O:37][CH3:38])[CH:6]([c:26]2[cH:27][c:28]([N+:32](=[O:33])[O-:34])[cH:29][cH:30][cH:31]2)[C:7]([c:11]2[n:12][c:13]([CH2:16][N:17]([CH3:18])[CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:14][o:15]2)=[C:8]([CH3:10])[NH:9]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 135833462HCID 135833462, compound

Product 1

HCID 135833463HCID 135833463, compound

Sources & evidence

ORD record
ord-0eaa4329c1224869a04c230809f06002
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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