Hexane → HCID 69075822, compound

HRID 144545Notes

Reaction equation

HRID 144545 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[c:8]1[cH:9][c:10]([C:14]#[CH:15])[cH:11][cH:12][cH:13]1)=[O:16].[CH2:30]([N:31]([CH2:32][CH3:33])[CH2:34][CH3:35])[CH3:36].[CH3:17][O:18][C:19]([CH2:20][c:21]1[c:22]([F:28])[cH:23][c:24]([I:27])[cH:25][cH:26]1)=[O:29].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[Cu:49][I:50].[Pd:51]([Cl:52])[Cl:53].[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[c:8]1[cH:9][c:10]([C:14]#[C:15][c:24]2[cH:23][c:22]([F:28])[c:21]([CH2:20][C:19]([O:18][CH3:17])=[O:29])[cH:26][cH:25]2)[cH:11][cH:12][cH:13]1)=[O:16]

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 187102252-Fluoro-4-iodo phenyl acetic acid methyl esterHCID 57424258HCID 57424258, compound

Product 1

HCID 69075822HCID 69075822, compound

Sources & evidence

ORD record
ord-5d7e70f82e48477389e948369ec3382e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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