Ethanol → 3-(3,4-Dichlorophenyl)-3-oxo-1-propanol

HRID 1212169Notes

Reaction equation

HRID 1212169 reaction equation
[Al+3:40].[C:34](=[O:35])([O-:36])[OH:37].[CH3:47][CH2:48][OH:49].[CH:17]([O-:18])([O-:19])[O:20][CH2:21][CH3:22].[Cl:1][c:2]1[cH:3][c:4]([C:9]([CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])=[O:16])[cH:5][cH:6][c:7]1[Cl:8].[H-:39].[H-:42].[H-:43].[H-:44].[Li+:41].[Na+:38].[Na+:46].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH-:45].[OH2:55].[c:23]1([CH3:24])[cH:25][cH:26][c:27]([S:28]([OH:29])(=[O:30])=[O:31])[cH:32][cH:33]1>>[Cl:1][c:2]1[cH:3][c:4]([C:9]([CH2:10][CH2:11][OH:12])=[O:16])[cH:5][cH:6][c:7]1[Cl:8]

Participants

13

Reactant 12

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 2758176ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoateHCID 53630039Ethylorthoformate

Product 1

HCID 184275003-(3,4-Dichlorophenyl)-3-oxo-1-propanol

Sources & evidence

ORD record
ord-daeffab849c645658903067201d45e33
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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