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Ethanol → [{2-(1,3-Benzodioxol-5-yl)ethyl}thio]acetic acid

HRID 2147730
Notes
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Reaction equation

HRID 2147730 reaction equation
[Br:13][CH2:14][C:15](=[O:16])[OH:17].[CH3:20][CH2:21][OH:22].[Na+:19].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH2:10][CH2:11][SH:12])[cH:9]2.[OH-:18].[OH2:23]>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH2:10][CH2:11][S:12][CH2:14][C:15](=[O:16])[OH:17])[cH:9]2
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 6227Bromoacetic AcidHCID 158195122-(1,3-Benzodioxol-5-yl)ethanethiol

Product 1

HCID 19001624[{2-(1,3-Benzodioxol-5-yl)ethyl}thio]acetic acid

Sources & evidence

ORD record
ord-d7671709745d44faa08589cbdae84fba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes