Ethanol → Pactimibe

HRID 1212230Notes

Reaction equation

HRID 1212230 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[N:9]1[CH2:10][CH2:11][c:12]2[c:13]([CH3:32])[c:14]([CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[c:15]([CH3:25])[c:16]([NH:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[c:17]21.[CH3:35][CH2:36][OH:37].[Na+:34].[OH-:33].[OH2:38]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[N:9]1[CH2:10][CH2:11][c:12]2[c:13]([CH3:32])[c:14]([CH2:26][C:27](=[O:28])[OH:29])[c:15]([CH3:25])[c:16]([NH:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[c:17]21

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 15895566N-(1-Octyl-5-ethoxycarbonylmethyl-4,6-dimethylindolin-7-yl)-2,2-dimethylpropanamide

Product 1

HCID 3081927Pactimibe

Sources & evidence

ORD record
ord-01ec3bd59ad94fc8b33aa6fabbf370b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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