Water → 4-(1,1-dioxoisothiazolidin-2-yl)-6-mesyl-2,2-dimethyl-2H-1-benzopyran

HRID 191543Notes

Reaction equation

HRID 191543 reaction equation
[CH3:25][C:26]([O:27][C:28](=[O:29])[CH3:30])=[O:31].[OH2:32].[OH:1][CH:2]1[C:3]([CH3:23])([CH3:24])[O:4][c:5]2[c:6]([cH:15][c:16]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:17][cH:18]2)[CH:7]1[N:8]1[S:9](=[O:13])(=[O:14])[CH2:10][CH2:11][CH2:12]1.[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[CH:2]1=[C:7]([N:8]2[S:9](=[O:13])(=[O:14])[CH2:10][CH2:11][CH2:12]2)[c:6]2[c:5]([cH:18][cH:17][c:16]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:15]2)[O:4][C:3]1([CH3:23])[CH3:24]

Participants

5

Reactant 4

HCID 962WaterHCID 1049PyridineHCID 7918Acetic AnhydrideHCID 198223314-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2,2-dimethyl-6-methylsulfonyl-3,4-dihydrochromen-3-ol

Product 1

HCID 157348204-(1,1-dioxoisothiazolidin-2-yl)-6-mesyl-2,2-dimethyl-2H-1-benzopyran

Sources & evidence

ORD record
ord-f2a7f6c8243247df84bef5e831f16a20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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