Ethanol → N-[1-(4-cyanopiperidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide

HRID 95471

Reaction equation

[CH3:27][CH2:28][OH:29].[Cl:30][CH2:31][Cl:32].[F:9][c:10]1[c:11]([CH3:26])[cH:12][c:13]([C:14](=[O:15])[N:16]([CH:17]([CH:18]=[O:19])[CH:20]([CH3:21])[CH3:22])[CH3:23])[cH:24][cH:25]1.[NH:1]1[CH2:2][CH2:3][CH:4]([C:7]#[N:8])[CH2:5][CH2:6]1>>[N:1]1([CH2:18][CH:17]([N:16]([C:14]([c:13]2[cH:12][c:11]([CH3:26])[c:10]([F:9])[cH:25][cH:24]2)=[O:15])[CH3:23])[CH:20]([CH3:21])[CH3:22])[CH2:2][CH2:3][CH:4]([C:7]#[N:8])[CH2:5][CH2:6]1

Participants

Reactant 4

HCID 702Ethanol

HCID 6344Dichloromethane

HCID 1382234-Cyanopiperidine

HCID 884142254-fluoro-N,3-dimethyl-N-(3-methyl-1-oxobutan-2-yl)benzamide

Product 1

HCID 67772411N-[1-(4-cyanopiperidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide

Sources & evidence

ORD record: ord-84d92e843cf943d68793d1e794db10e2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Linked notes

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