Potassium Cation → Octyl p-(2-thenoyl)hydratropate

HRID 686508Notes

Reaction equation

HRID 686508 reaction equation
[CH2:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[Br:29].[CH3:35][N:36]([P:37]([N:38]([CH3:39])[CH3:40])([N:41]([CH3:42])[CH3:43])=[O:44])[CH3:45].[H-:19].[I-:31].[K+:30].[Na+:20].[Na+:33].[OH-:32].[OH2:34].[c:1]1([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([CH:12]([C:13](=[O:14])[OH:15])[CH3:16])[cH:17][cH:18]2)[cH:2][cH:3][cH:4][s:5]1>>[c:1]1([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([CH:12]([C:13](=[O:14])[O:15][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[CH3:16])[cH:17][cH:18]2)[cH:2][cH:3][cH:4][s:5]1

Participants

10

Reactant 9

HCID 813Potassium CationHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 5359SuprofenHCID 81401-BromooctaneHCID 12679HexamethylphosphoramideHCID 30165Iodide IonHCID 166653Hydride

Product 1

HCID 12232954Octyl p-(2-thenoyl)hydratropate

Sources & evidence

ORD record
ord-d3efd0bb586749eca1e331ca052e28bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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