2-Methyl-3-butyn-2-ol → 4-(4-Cyanophenyl)-2-methyl-3-butyne-2-ol

HRID 1145772Notes

Reaction equation

HRID 1145772 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[CH3:10][C:11]([C:12]#[CH:13])([CH3:14])[OH:15].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[Cu:83][I:84].[Pd:42]([Cl:43])[Cl:44].[c:16]1([P:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1.[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1.[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1>>[c:2]1([C:13]#[C:12][C:11]([CH3:10])([CH3:14])[OH:15])[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1

Participants

7

Reactant 6

HCID 82582-Methyl-3-butyn-2-olHCID 8471TriethylamineHCID 11776Triphenylphosphine3×HCID 12162Benzonitrile, 4-bromo-HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

Product 1

HCID 28221554-(4-Cyanophenyl)-2-methyl-3-butyne-2-ol

Sources & evidence

ORD record
ord-a52580e3987b4449afd5fe254a24ab44
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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