Hexane → HCID 69070551, compound

HRID 2134232Notes

Reaction equation

HRID 2134232 reaction equation
[CH2:15]([CH3:16])[O:17][C:18]([CH2:19][c:20]1[c:21]([F:27])[cH:22][c:23]([I:26])[cH:24][cH:25]1)=[O:28].[CH2:29]([N:30]([CH2:31][CH3:32])[CH2:33][CH3:34])[CH3:35].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([c:6]1[cH:7][c:8]([C:12]#[CH:13])[cH:9][cH:10][cH:11]1)=[O:14].[Cu:48][I:49].[Pd:50]([Cl:51])[Cl:52].[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([c:6]1[cH:7][c:8]([C:12]#[C:13][c:23]2[cH:22][c:21]([F:27])[c:20]([CH2:19][C:18]([O:17][CH2:15][CH3:16])=[O:28])[cH:25][cH:24]2)[cH:9][cH:10][cH:11]1)=[O:14]

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 18740710Ethyl 2-fluoro-4-iodophenylacetateHCID 57424260HCID 57424260, compound

Product 1

HCID 69070551HCID 69070551, compound

Sources & evidence

ORD record
ord-8060688ab8d242f4b4781b2475196927
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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