Acetone → HCID 4712495, compound

HRID 200715Notes

Reaction equation

HRID 200715 reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH:21]([CH:26]([CH3:27])[CH3:28])[CH2:22][CH2:23][C:24]1=[O:25].[CH3:38][C:39](=[O:40])[CH3:41].[CH:1]([CH:2]1[CH2:3][CH2:4][C:5](=[O:9])[N:6]1[C:7]([OH:8])=[O:10])([CH3:11])[CH3:12].[Na+:30].[Na+:36].[OH-:29].[OH2:37].[S:31](=[O:32])(=[O:33])([OH:34])[O-:35]>>[OH:9][C:24]([CH2:23][CH2:22][CH:21]([NH:20][C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH:26]([CH3:27])[CH3:28])=[O:25]

Participants

8

Reactant 7

HCID 180AcetoneHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 61778Sulfate, hydrogenHCID 23589000HCID 23589000, compoundHCID 67023624HCID 67023624, compound

Product 1

HCID 4712495HCID 4712495, compound

Sources & evidence

ORD record
ord-0a5965a4477e43dd83fe9cc61af62828
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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