Ethanol → 2-[(4-{2-[Heptyl(2-phenylethyl)amino]-2-oxoethyl}-phenoxy)methyl]benzoic acid

HRID 156384

Reaction equation

HRID 156384 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[N:8]([C:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][CH2:16][c:17]2[c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28]1)=[O:29])[CH2:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:40][CH2:41][OH:42].[K+:39].[OH-:38]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[N:8]([C:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][CH2:16][c:17]2[c:18]([C:19](=[O:20])[OH:21])[cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28]1)=[O:29])[CH2:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1

Participants

5

Reactant 4

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 68869824Methyl 2-[(4-{2-[heptyl(2-phenylethyl)amino]-2-oxoethyl}phenoxy)methyl]-benzoate

Product 1

HCID 104581652-[(4-{2-[Heptyl(2-phenylethyl)amino]-2-oxoethyl}-phenoxy)methyl]benzoic acid

Sources & evidence

ORD record
ord-84ee810ce6274d9e8cde5ae11d05ddfa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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