Acetone → HCID 178493194, compound

HRID 669759Notes

Reaction equation

HRID 669759 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[C:41]([CH3:42])(=[O:43])[O:44][CH2:45][Br:46].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[C:9](=[O:32])[O:10][CH2:11][CH:12]([NH:20][C:21](=[O:22])[c:23]2[n:24][cH:25][cH:26][c:27]([O:30][CH3:31])[c:28]2[OH:29])[C:13](=[O:19])[O:14][CH:15]([CH3:18])[CH:16]1[OH:17].[CH3:47][C:48](=[O:49])[CH3:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[I-:40].[K+:37].[K+:38].[Na+:39].[OH2:57]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[C:9](=[O:32])[O:10][CH2:11][CH:12]([NH:20][C:21](=[O:22])[c:23]2[n:24][cH:25][cH:26][c:27]([O:30][CH3:31])[c:28]2[O:29][CH2:45][O:44][C:41]([CH3:42])=[O:43])[C:13](=[O:19])[O:14][CH:15]([CH3:18])[CH:16]1[OH:17]

Participants

10

Reactant 9

HCID 180AcetoneHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 68536Bromomethyl acetateHCID 20798330HCID 20798330, compound

Product 1

HCID 178493194HCID 178493194, compound

Sources & evidence

ORD record
ord-a89808c77dfc499bac86a3e481bbed68
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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