Acetone → HCID 23447261, compound

HRID 2122735Notes

Reaction equation

HRID 2122735 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][c:13]([Cl:18])[c:14]([OH:17])[cH:15][cH:16]1)[C:19](=[O:20])[OH:21].[C:22]([O:23][C:24]([O:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])=[O:33])([CH3:34])([CH3:35])[CH3:36].[C:44](=[O:45])([O-:46])[O-:47].[CH3:37][O:38][S:39]([O:40][CH3:41])(=[O:42])=[O:43].[CH3:58][C:59](=[O:60])[CH3:61].[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[K+:48].[K+:49].[Na+:51].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[OH-:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][c:13]([Cl:18])[c:14]([O:17][CH3:22])[cH:15][cH:16]1)[C:19](=[O:20])[OH:21]

Participants

11

Reactant 10

HCID 180AcetoneHCID 813Potassium Cation2×HCID 923Sodium ionHCID 961HydroxideHCID 6497Dimethyl SulfateHCID 8471TriethylamineHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 90495Di-tert-butyl dicarbonateHCID 21195861HCID 21195861, compound

Product 1

HCID 23447261HCID 23447261, compound

Sources & evidence

ORD record
ord-80e17fb2b8764ae9a537da04b5a33081
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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