Bicarbonate Ion → 5-Amino-3-sec-butylthio-4-phenoxybenzoic acid

HRID 179545Notes

Reaction equation

[C:24](=[O:25])([O-:26])[OH:27].[CH:19]([CH3:20])([CH2:21][CH3:22])[I:23].[NH2:1][c:2]1[c:3]([O:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:4]([SH:11])[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[Na+:28]>>[NH2:1][c:2]1[c:3]([O:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:4]([S:11][CH:19]([CH3:20])[CH2:21][CH3:22])[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10]1

Participants

Reactant 4

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 105592-Iodobutane

HCID 215201075-Amino-3-mercapto-4-phenoxybenzoic acid

Product 1

HCID 215200925-Amino-3-sec-butylthio-4-phenoxybenzoic acid

Sources & evidence

ORD record: ord-47c4c3a4c2384af9ae7bef2f44eea116
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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