Hexane → 4,4,7-Trimethyl-6-trimethylsilanylethynyl-1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid ethyl ester

HRID 1549229Notes

Reaction equation

HRID 1549229 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][CH2:8][C:9]([CH3:25])([CH3:26])[c:10]2[cH:11][c:12]([O:17][S:18]([C:19]([F:20])([F:21])[F:22])(=[O:23])=[O:24])[c:13]([CH3:16])[cH:14][c:15]21.[CH2:27]([N:28]([CH2:29][CH3:30])[CH2:31][CH3:32])[CH3:33].[CH3:34][Si:35]([CH3:36])([CH3:37])[C:38]#[CH:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[Cu:52][I:53].[Pd:54]([Cl:55])[Cl:56].[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1.[c:76]1([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][CH2:8][C:9]([CH3:25])([CH3:26])[c:10]2[cH:11][c:12]([C:39]#[C:38][Si:35]([CH3:34])([CH3:36])[CH3:37])[c:13]([CH3:16])[cH:14][c:15]21

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 588834474,4,7-Trimethyl-6-trifluoromethanesulfonyloxy-1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid ethyl ester

Product 1

HCID 690745094,4,7-Trimethyl-6-trimethylsilanylethynyl-1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-573c66c7639240148f11b1a5c33989cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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