Hexane → 3-tert-Butyl-2-isopropoxy-6-methyl-5-trimethylsilanylethynyl-benzaldehyde

HRID 2340441Notes

Reaction equation

HRID 2340441 reaction equation
[Br:1][c:2]1[c:3]([CH3:18])[c:4]([CH:5]=[O:6])[c:7]([O:14][CH:15]([CH3:16])[CH3:17])[c:8]([C:10]([CH3:11])([CH3:12])[CH3:13])[cH:9]1.[CH2:19]([N:20]([CH2:21][CH3:22])[CH2:23][CH3:24])[CH3:25].[CH3:26][Si:27]([CH3:28])([CH3:29])[C:30]#[CH:31].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[Cu:44][I:45].[Pd:46]([Cl:47])[Cl:48].[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[c:2]1([C:31]#[C:30][Si:27]([CH3:26])([CH3:28])[CH3:29])[c:3]([CH3:18])[c:4]([CH:5]=[O:6])[c:7]([O:14][CH:15]([CH3:16])[CH3:17])[c:8]([C:10]([CH3:11])([CH3:12])[CH3:13])[cH:9]1

Participants

9

Reactant 8

HCID 8058HexaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 66111TrimethylsilylacetyleneHCID 211071513-Bromo-5-tert-butyl-6-isopropoxy-2-methyl-benzaldehyde

Product 1

HCID 211071563-tert-Butyl-2-isopropoxy-6-methyl-5-trimethylsilanylethynyl-benzaldehyde

Sources & evidence

ORD record
ord-c3d12f39fac249cca3fa65e2c72669d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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