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Hexane → 1-Methylethyl 3-[2-(trimethylsilyl)ethynyl]benzoate

HRID 168656
Notes
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Reaction equation

HRID 168656 reaction equation
[CH2:14]([N:15]([CH2:16][CH3:17])[CH2:18][CH3:19])[CH3:20].[CH3:21][Si:22]([CH3:23])([CH3:24])[C:25]#[CH:26].[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([c:6]1[cH:7][c:8]([Br:12])[cH:9][cH:10][cH:11]1)=[O:13].[Cu:39][I:40].[Pd:41]([Cl:42])[Cl:43].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([c:6]1[cH:7][c:8]([C:26]#[C:25][Si:22]([CH3:21])([CH3:23])[CH3:24])[cH:9][cH:10][cH:11]1)=[O:13]
ParticipantsSources & evidenceReaction notes

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 66111
Trimethylsilylacetylene
HCID 608316HCID 608316, compound

Product 1

HCID 574242591-Methylethyl 3-[2-(trimethylsilyl)ethynyl]benzoate

Sources & evidence

ORD record
ord-1a05d0fc64c3456780cbc5db79df403f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes