Water → HCID 20544726, compound

HRID 285966Notes

Reaction equation

HRID 285966 reaction equation
[CH2:15]([CH3:16])[O:17][S:18]([O-:19])(=[O:20])=[O:21].[OH2:22].[SH:1][c:2]1[cH:3][c:4]([C:12](=[O:13])[OH:14])[c:5]2[c:6]([cH:11]1)[O:7][CH2:8][CH2:9][O:10]2>>[S:1]([c:2]1[cH:3][c:4]([C:12](=[O:13])[OH:14])[c:5]2[c:6]([cH:11]1)[O:7][CH2:8][CH2:9][O:10]2)[CH2:15][CH3:16]

Participants

4

Reactant 3

HCID 962WaterHCID 3804841Ethyl sulfate anionHCID 205446947-Mercapto-1,4-benzodioxane-5-carboxylic acid

Product 1

HCID 20544726HCID 20544726, compound

Sources & evidence

ORD record
ord-3bd45c7ae65e49079504ef43978b12bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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