1-Bromo-3-chlorobenzene → 4-(3-Chlorophenyl)-2-methyl-3-butyn-2-ol

HRID 199082Notes

Reaction equation

HRID 199082 reaction equation
[Br:1][c:2]1[cH:3][c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:9][C:10]([CH3:11])([C:12]#[CH:13])[OH:14].[Cu:56][I:57].[Pd:15]([Cl:16])[Cl:17].[c:18]1([P:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1.[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[c:2]1([C:13]#[C:12][C:10]([CH3:9])([CH3:11])[OH:14])[cH:3][c:4]([Cl:8])[cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 79281-Bromo-3-chlorobenzeneHCID 82582-Methyl-3-butyn-2-olHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

Product 1

HCID 230063744-(3-Chlorophenyl)-2-methyl-3-butyn-2-ol

Sources & evidence

ORD record
ord-d8304033900f42aa9152011fa2b42947
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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