Hexane → HCID 69212794, compound

HRID 206206Notes

Reaction equation

HRID 206206 reaction equation
[C:1](#[CH:2])[c:3]1[cH:4][c:5]2[c:10]([c:11]([C:13]#[C:14][Si:15]([CH3:16])([CH3:17])[CH3:18])[cH:12]1)[O:9][C:8]([CH3:19])([CH3:20])[CH2:7][C:6]2([CH3:21])[CH3:22].[CH2:36]([N:37]([CH2:38][CH3:39])[CH2:40][CH3:41])[CH3:42].[CH3:23][O:24][C:25]([CH2:26][c:27]1[c:28]([F:34])[cH:29][c:30]([I:33])[cH:31][cH:32]1)=[O:35].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH3:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[Cu:55][I:56].[Pd:57]([Cl:58])[Cl:59].[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1>>[C:1](#[C:2][c:30]1[cH:29][c:28]([F:34])[c:27]([CH2:26][C:25]([O:24][CH3:23])=[O:35])[cH:32][cH:31]1)[c:3]1[cH:4][c:5]2[c:10]([c:11]([C:13]#[C:14][Si:15]([CH3:16])([CH3:17])[CH3:18])[cH:12]1)[O:9][C:8]([CH3:19])([CH3:20])[CH2:7][C:6]2([CH3:21])[CH3:22]

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 600838886-Ethynyl-8-trimethylsilanylethynyl-2,2,4,4-tetramethyl chroman

Product 1

HCID 69212794HCID 69212794, compound

Sources & evidence

ORD record
ord-686862ad9155401a91f5823e5f91accf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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