Hexane → HCID 60029385, compound

HRID 115781Notes

Reaction equation

HRID 115781 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:16][CH:17]([CH3:18])[CH3:19])[c:7]([CH:8]=[O:9])[c:10]([CH3:15])[c:11]([C:13]#[CH:14])[cH:12]1.[CH2:32]([N:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[CH3:38].[CH3:20][O:21][C:22]([CH2:23][c:24]1[cH:25][cH:26][c:27]([I:30])[cH:28][cH:29]1)=[O:31].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[Cu:51][I:52].[Pd:53]([Cl:54])[Cl:55].[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:16][CH:17]([CH3:18])[CH3:19])[c:7]([CH:8]=[O:9])[c:10]([CH3:15])[c:11]([C:13]#[C:14][c:27]2[cH:26][cH:25][c:24]([CH2:23][C:22]([O:21][CH3:20])=[O:31])[cH:29][cH:28]2)[cH:12]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 10378700Methyl 4-IodophenylacetateHCID 211071573-tert-Butyl-5-ethynyl-2-isopropoxy-6-methyl-benzaldehyde

Product 1

HCID 60029385HCID 60029385, compound

Sources & evidence

ORD record
ord-6f8f1683da5241f48754628b3fc4de2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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