Acetone → HCID 178475231, compound

HRID 1545178Notes

Reaction equation

HRID 1545178 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]2=[CH:8][CH:9]([OH:35])[CH:10]3[CH:11]4[CH2:12][CH2:13][CH:14]([CH:15]([CH3:16])[CH:17]5[O:18][CH2:24][C:21]([CH3:22])([CH3:23])[CH2:20][O:19]5)[C:25]4([CH3:34])[CH2:26][CH2:27][CH:28]3[C:29]2([CH3:33])[CH:30]2[CH:31]1[O:32]2.[C:53]([O:54][CH2:55][CH3:56])(=[O:57])[CH3:58].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[CH3:59][C:60](=[O:61])[CH3:62].[c:36]1([CH3:37])[cH:38][cH:39][c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]2=[CH:8][CH:9]([OH:35])[CH:10]3[CH:11]4[CH2:12][CH2:13][CH:14]([CH:15]([CH3:16])[CH:17]=[O:18])[C:25]4([CH3:34])[CH2:26][CH2:27][CH:28]3[C:29]2([CH3:33])[CH:30]2[CH:31]1[O:32]2

Participants

6

Reactant 5

HCID 180AcetoneHCID 6101p-Toluenesulfonic acidHCID 8058HexaneHCID 8857Ethyl AcetateHCID 178475229HCID 178475229, compound

Product 1

HCID 178475231HCID 178475231, compound

Sources & evidence

ORD record
ord-8079af0088054995a6fb95c9aaf370ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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