Acetone → HCID 58913253, compound

HRID 685245Notes

Reaction equation

HRID 685245 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[s:10][cH:11][c:12]([CH:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:20][CH:21]=[CH2:22])[n:13]1.[CH3:23][N+:24]1([O-:25])[CH2:26][CH2:28][O:27][CH2:29][CH2:30]1.[CH3:32][C:33]([CH3:34])=[O:35].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[Na+:41].[OH2:31].[S:36](=[O:37])(=[O:38])([OH:39])[O-:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[s:10][cH:11][c:12]([CH:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:20][CH:21]=[O:27])[n:13]1

Participants

9

Reactant 8

HCID 180AcetoneHCID 923Sodium ionHCID 962WaterHCID 8058HexaneHCID 8857Ethyl AcetateHCID 61778Sulfate, hydrogenHCID 82029Methyl morpholine oxideHCID 58913386HCID 58913386, compound

Product 1

HCID 58913253HCID 58913253, compound

Sources & evidence

ORD record
ord-78c7e23abe104dd5a40ada0e9a42aa05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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