Calcium Cation → methyl N-[5-(3-chloro-1-butynyl)-2-fluorobenzyl]carbamate

HRID 2311499Notes

Reaction equation

HRID 2311499 reaction equation
[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[Ca+2:21].[Cl-:19].[Cl-:20].[Cl-:24].[ClH:22].[Cu:32][I:33].[Cu:34].[F:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([O:7][CH3:8])=[O:9])[cH:10][c:11]([C:14]#[C:15][CH:16]([CH3:17])[OH:18])[cH:12][cH:13]1.[Na+:23]>>[F:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([O:7][CH3:8])=[O:9])[cH:10][c:11]([C:14]#[C:15][CH:16]([CH3:17])[Cl:19])[cH:12][cH:13]1

Participants

9

Reactant 8

HCID 271Calcium CationHCID 312Chloride3×HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 1140TolueneHCID 23978CopperHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 15483914methyl N-[2-fluoro-5-(3-hydroxy-1-butynyl)benzyl]carbamate

Product 1

HCID 15483916methyl N-[5-(3-chloro-1-butynyl)-2-fluorobenzyl]carbamate

Sources & evidence

ORD record
ord-7a9c1db52f0842389df4ec575753f884
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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