Acetone → HCID 15737328, compound

HRID 665645Notes

Reaction equation

HRID 665645 reaction equation
[C:36](=[O:37])([OH:38])[O-:39].[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH:6]([c:13]2[c:14]([C:19](=[O:20])[O:21][CH3:22])[cH:15][cH:16][cH:17][cH:18]2)[C:5]([C:23](=[O:24])[O:25][CH2:26][CH3:27])=[C:4]([CH:28]([O:29][CH2:33][CH3:34])[O:30][CH2:31][CH3:32])[NH:3]1.[CH3:41][C:42](=[O:43])[CH3:44].[Na+:40].[OH2:35]>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH:6]([c:13]2[c:14]([C:19](=[O:20])[O:21][CH3:22])[cH:15][cH:16][cH:17][cH:18]2)[C:5]([C:23](=[O:24])[O:25][CH2:26][CH3:27])=[C:4]([CH:28]=[O:29])[NH:3]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 12896958HCID 12896958, compound

Product 1

HCID 15737328HCID 15737328, compound

Sources & evidence

ORD record
ord-cfe39b0c24f248e790404c07232900ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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