Ethanol → 3-[4-(2,3-Dihydroxypropoxy)-3,5-dimethylphenyl]-1-[5-ethyl-4-(4-methylphenyl)thiophen-2-yl]propan-1-one

HRID 2321968Notes

Reaction equation

HRID 2321968 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4](-[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[cH:5][c:6]([C:8]([CH2:9][CH2:10][c:11]2[cH:12][c:13]([CH3:19])[c:14]([OH:18])[c:15]([CH3:17])[cH:16]2)=[O:20])[s:7]1.[CH3:34][CH2:35][OH:36].[Cl:28][CH2:29][CH:30]([CH2:31][OH:32])[OH:33].[Na+:38].[OH-:37].[OH2:39]>>[CH2:1]([CH3:2])[c:3]1[c:4](-[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[cH:5][c:6]([C:8]([CH2:9][CH2:10][c:11]2[cH:12][c:13]([CH3:19])[c:14]([O:18][CH2:29][CH:30]([CH2:31][OH:32])[OH:33])[c:15]([CH3:17])[cH:16]2)=[O:20])[s:7]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 72903-Chloro-1,2-propanediolHCID 592489921-(5-Ethyl-4-p-tolyl-thiophen-2-yl)-3-(4-hydroxy-3,5-dimethyl-phenyl)-propan-1-one

Product 1

HCID 671646393-[4-(2,3-Dihydroxypropoxy)-3,5-dimethylphenyl]-1-[5-ethyl-4-(4-methylphenyl)thiophen-2-yl]propan-1-one

Sources & evidence

ORD record
ord-93c87d1a8bd54cc9bde5ba8bda05e1fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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