Ethanol → Ethyl 2-dimethylamino-6-(4-fluorophenyl)-5-methylthio-6-oxo-2,4-hexadienoate

HRID 1574268Notes

Reaction equation

HRID 1574268 reaction equation
[B-:23]([F:24])([F:25])([F:26])[F:27].[CH3:28][N:29]([CH3:30])[C:31]([C:32]([O:33][CH2:34][CH3:35])=[O:36])=[CH:37][CH:38]=[N+:39]([CH3:40])[CH3:41].[CH3:42][CH2:43][OH:44].[c:1]1([C:7]([C:8](=[CH:9][CH:10]=[C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[N:17]([CH3:18])[CH3:19])[S:20][CH3:21])=[O:22])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]([C:8](=[CH:9][CH:10]=[C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[N:17]([CH3:18])[CH3:19])[S:20][CH3:21])=[O:22])[cH:2][cH:3][c:4]([F:24])[cH:5][cH:6]1

Participants

5

Reactant 4

HCID 702EthanolHCID 26255TetrafluoroborateHCID 44325574Ethyl 6-phenyl-6-oxo-5-methylthio-2-dimethylamino2,4-hexadienoateHCID 86743576[3-(Dimethylamino)-4-ethoxy-4-oxobut-2-enylidene]-dimethylazanium

Product 1

HCID 54043061Ethyl 2-dimethylamino-6-(4-fluorophenyl)-5-methylthio-6-oxo-2,4-hexadienoate

Sources & evidence

ORD record
ord-3b3657af9fdc499182cd960fa7bc3d38
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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