Hexane → HCID 57424257, compound

HRID 2134081Notes

Reaction equation

HRID 2134081 reaction equation
[CH2:16]([N:17]([CH2:18][CH3:19])[CH2:20][CH3:21])[CH3:22].[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[c:8]1[cH:9][c:10]([Br:14])[cH:11][cH:12][cH:13]1)=[O:15].[CH3:23][Si:24]([CH3:25])([CH3:26])[C:27]#[CH:28].[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[Cu:41][I:42].[Pd:43]([Cl:44])[Cl:45].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[c:8]1[cH:9][c:10]([C:28]#[C:27][Si:24]([CH3:23])([CH3:25])[CH3:26])[cH:11][cH:12][cH:13]1)=[O:15]

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 12805127Ethyl 2-(3-bromophenyl)-2-methylpropanoate

Product 1

HCID 57424257HCID 57424257, compound

Sources & evidence

ORD record
ord-502ec381930446d0a8295db74c3b2c7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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