Benzene → 2-(5,6-dihydro-2H-4-pyranyl)-1-benzenesulfonyl-5-methylthioindole

HRID 683762Notes

Reaction equation

HRID 683762 reaction equation
[Na+:40].[OH2:28].[OH:1][C:2]1([c:8]2[n:9]([S:19](=[O:20])(=[O:21])[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:10]3[cH:11][cH:12][c:13]([S:17][CH3:18])[cH:14][c:15]3[cH:16]2)[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[OH:41][C:42](=[O:43])[O-:44].[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([OH:35])(=[O:36])=[O:37])[cH:38][cH:39]1.[cH:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[C:2]1([c:8]2[n:9]([S:19](=[O:20])(=[O:21])[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:10]3[cH:11][cH:12][c:13]([S:17][CH3:18])[cH:14][c:15]3[cH:16]2)=[CH:3][CH2:4][O:5][CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 241BenzeneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 225044372-(4-hydroxytetrahydro-4H-4-pyranyl)-5-methylthio-1-benzenesulfonylindole

Product 1

HCID 225044022-(5,6-dihydro-2H-4-pyranyl)-1-benzenesulfonyl-5-methylthioindole

Sources & evidence

ORD record
ord-4be7ddbcf2fd4294baf24031044b426b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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