Acetone → HCID 178492492, compound

HRID 149946Notes

Reaction equation

HRID 149946 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:38][CH2:39][CH:40]2[O:41][C:42]([CH3:45])([CH3:46])[O:43][CH2:44]2)[CH:11]([c:28]2[cH:29][cH:30][c:31]([O:34][CH2:35][CH:36]=[CH2:37])[cH:32][cH:33]2)[CH:12]([O:14][CH2:15][c:16]2[cH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[c:24]([O:26][CH3:27])[cH:25]2)[CH2:13]1.[C:56](=[O:57])([O-:58])[OH:59].[CH3:47][C:48](=[O:49])[CH3:50].[Na+:60].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:38][CH2:39][CH:40]2[O:41][C:42]([CH3:45])([CH3:46])[O:43][CH2:44]2)[CH:11]([c:28]2[cH:29][cH:30][c:31]([OH:34])[cH:32][cH:33]2)[CH:12]([O:14][CH2:15][c:16]2[cH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[c:24]([O:26][CH3:27])[cH:25]2)[CH2:13]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 178458242HCID 178458242, compound

Product 1

HCID 178492492HCID 178492492, compound

Sources & evidence

ORD record
ord-7a69cb72c41249338eb3118ccf9384ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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