Water → 2-(4-Chloro-phenyl)-4,5-dihydro-thieno[2,3-c]pyran-7-one

HRID 1555433Notes

Reaction equation

HRID 1555433 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:8][c:9]1[CH2:10][CH2:11][OH:12].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[OH2:20].[c:21]1([CH3:22])[cH:23][cH:24][c:25]([S:26]([OH:27])(=[O:28])=[O:29])[cH:30][cH:31]1>>[O:2]=[C:3]1[c:5]2[s:6][c:7](-[c:13]3[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]3)[cH:8][c:9]2[CH2:10][CH2:11][O:12]1

Participants

6

Reactant 5

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 689499765-(4-Chloro-phenyl)-3-(2-hydroxy-ethyl)-thiophene-2-carboxylic acid methyl ester

Product 1

HCID 689489532-(4-Chloro-phenyl)-4,5-dihydro-thieno[2,3-c]pyran-7-one

Sources & evidence

ORD record
ord-11b00e446f12485b938412cd5f44d08a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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