Acetic Acid → Dibenzothiazepinone

HRID 812674Notes

Reaction equation

HRID 812674 reaction equation
[CH3:17][C:18]([OH:19])=[O:20].[NH2:1][c:2]1[c:3]([S:8][c:9]2[c:10]([C:11]#[N:12])[cH:13][cH:14][cH:15][cH:16]2)[cH:4][cH:5][cH:6][cH:7]1.[Na+:27].[OH-:26].[OH2:28].[S:21](=[O:22])(=[O:23])([OH:24])[OH:25]>>[c:2]12[c:3]([cH:4][cH:5][cH:6][cH:7]1)[S:8][c:9]1[c:10]([cH:13][cH:14][cH:15][cH:16]1)[C:11](=[O:19])[NH:12]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 3662332-(2-Aminophenyl)sulfanylbenzonitrile

Product 1

HCID 374829Dibenzothiazepinone

Sources & evidence

ORD record
ord-44efbf05e3fc42adbf63c23fa3786b00
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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