Potassium Cation → Methyl 6-((2-ethylhexyl)(phenyl)amino)hexanoate

HRID 319924Notes

Reaction equation

HRID 319924 reaction equation
[Br:23][CH2:24][CH:25]([CH2:26][CH3:27])[CH2:28][CH2:29][CH2:30][CH3:31].[C:17](=[O:18])([O-:19])[O-:20].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[K+:21].[K+:22].[Na+:32].[Na+:33].[O-:34][S:35](=[O:36])(=[O:37])[O-:38].[OH2:45].[c:1]1([NH:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13](=[O:14])[O:15][CH3:16])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([N:7]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13](=[O:14])[O:15][CH3:16])[CH2:24][CH:25]([CH2:26][CH3:27])[CH2:28][CH2:29][CH2:30][CH3:31])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

10

Reactant 9

HCID 813Potassium Cation2×HCID 923Sodium ion2×HCID 962WaterHCID 1117Sulfate IonHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 868042-Ethylhexyl bromideHCID 20441676Methyl 6-(phenylamino)hexanoate

Product 1

HCID 57857730Methyl 6-((2-ethylhexyl)(phenyl)amino)hexanoate

Sources & evidence

ORD record
ord-8129061fafd44bb5937dfb7ad592ac9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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