Propargyl alcohol → N-(1-Adamantylmethyl)-5-chloro-2-(3-hydroxy-1-propynyl)isonicotinamide

HRID 193760Notes

Reaction equation

HRID 193760 reaction equation
[C:1]12([CH2:11][NH:12][C:13]([c:14]3[cH:15][c:16]([Br:21])[n:17][cH:18][c:19]3[Cl:20])=[O:22])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[CH2:23]([C:24]#[CH:25])[OH:26].[CH2:29]([NH:30][CH2:31][CH3:32])[CH3:33].[Cu:27][I:28]>>[C:1]12([CH2:11][NH:12][C:13]([c:14]3[cH:15][c:16]([C:25]#[C:24][CH2:23][OH:26])[n:17][cH:18][c:19]3[Cl:20])=[O:22])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2

Participants

5

Reactant 4

HCID 7859Propargyl alcoholHCID 8021DiethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 11773529N-(1-adamantylmethyl)-2-bromo-5-chloroisonicotinamide

Product 1

HCID 21906723N-(1-Adamantylmethyl)-5-chloro-2-(3-hydroxy-1-propynyl)isonicotinamide

Sources & evidence

ORD record
ord-de9c65cd76634106889101c41b8f4530
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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