Chloride → methyl N-[2-chloro-5-(3-hydroxy-3-methyl-1-butynyl)benzyl]carbamate

HRID 152496Notes

Reaction equation

HRID 152496 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([Cl:14])[c:6]([CH2:7][NH:8][C:9]([O:10][CH3:11])=[O:12])[cH:13]1.[CH3:15][C:16]([CH3:17])([C:18]#[CH:19])[OH:20].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[Cl-:22].[Cu:23][I:24].[Na+:21]>>[c:2]1([C:19]#[C:18][C:16]([CH3:15])([CH3:17])[OH:20])[cH:3][cH:4][c:5]([Cl:14])[c:6]([CH2:7][NH:8][C:9]([O:10][CH3:11])=[O:12])[cH:13]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 923Sodium ionHCID 82582-Methyl-3-butyn-2-olHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 15483918methyl N-[(5-bromo-2-chlorophenyl)methyl]carbamate

Product 1

HCID 15483920methyl N-[2-chloro-5-(3-hydroxy-3-methyl-1-butynyl)benzyl]carbamate

Sources & evidence

ORD record
ord-f324388574f54ca9a35dc500508d1f47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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