Acetonitrile → 1,1-Dimethylethyl [5-chloro-3-(3-hydroxy-3-methylbut-1-yn-1-yl)-2-methylphenyl]carbamate

HRID 192361Notes

Reaction equation

HRID 192361 reaction equation
[CH3:18][C:19]([CH3:20])([C:21]#[CH:22])[OH:23].[CH3:43][C:44]#[N:45].[Cl:1][c:2]1[cH:3][c:4]([I:17])[c:5]([CH3:16])[c:6]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[cH:7]1.[Cu:46][I:47].[Pd:48]([Cl:49])[Cl:50].[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[Cl:1][c:2]1[cH:3][c:4]([C:22]#[C:21][C:19]([CH3:18])([CH3:20])[OH:23])[c:5]([CH3:16])[c:6]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[cH:7]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 82582-Methyl-3-butyn-2-olHCID 11776TriphenylphosphineHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 866175201,1-Dimethylethyl (5-chloro-3-iodo-2-methylphenyl)carbamate

Product 1

HCID 866175211,1-Dimethylethyl [5-chloro-3-(3-hydroxy-3-methylbut-1-yn-1-yl)-2-methylphenyl]carbamate

Sources & evidence

ORD record
ord-e4b426bb08f94740a45c6ad7637bae80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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