Acetone → HCID 19774074, compound

HRID 2153546Notes

Reaction equation

HRID 2153546 reaction equation
[C:35](=[O:36])([OH:37])[O-:38].[CH3:40][C:41](=[O:42])[CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Na+:39].[c:18]1([CH3:19])[cH:20][cH:21][c:22]([S:23]([O-:24])(=[O:25])=[O:26])[cH:27][cH:28]1.[c:1]1([S:7][CH2:8][C:9]2([C:12]3([CH3:17])[O:13][CH2:16][CH2:15][O:14]3)[CH2:10][CH2:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[nH+:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[c:1]1([S:7][CH2:8][C:9]2([C:12](=[O:13])[CH3:17])[CH2:10][CH2:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 19774077HCID 19774077, compound

Product 1

HCID 19774074HCID 19774074, compound

Sources & evidence

ORD record
ord-342d0b9b6be74b74b3dfe566e35280aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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