Sodium ion → 5,6-Dihydro-4H-thieno[2,3-b]thiopyran-4-one

HRID 145675Notes

Reaction equation

HRID 145675 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[F:19][C:20]([F:21])([F:22])[C:23]([O:24][C:25](=[O:26])[C:27]([F:28])([F:29])[F:30])=[O:31].[Na+:33].[OH-:32].[OH2:46].[s:8]1[c:9]([S:13][CH2:14][CH2:15][C:16](=[O:17])[OH:18])[cH:10][cH:11][cH:12]1>>[s:8]1[c:9]2[c:10]([cH:11][cH:12]1)[C:16](=[O:18])[CH2:15][CH2:14][S:13]2

Participants

9

Reactant 8

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 8058HexaneHCID 8857Ethyl AcetateHCID 9845Trifluoroacetic anhydrideHCID 139116455-(2-Carboxyethylthio)thiophene

Product 1

HCID 110302745,6-Dihydro-4H-thieno[2,3-b]thiopyran-4-one

Sources & evidence

ORD record
ord-9c18b27b58ac4ba5a345cfe023da647d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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