Hexane → HCID 69070610, compound

HRID 2162031Notes

Reaction equation

HRID 2162031 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1=[CH:7][CH2:8][C:9]([CH3:19])([CH3:20])[c:10]2[cH:11][c:12]([C:17]#[CH:18])[c:13]([CH3:16])[cH:14][c:15]21.[CH2:34]([N:35]([CH2:36][CH3:37])[CH2:38][CH3:39])[CH3:40].[CH3:21][O:22][C:23]([CH2:24][c:25]1[c:26]([F:32])[cH:27][c:28]([I:31])[cH:29][cH:30]1)=[O:33].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[Cu:53][I:54].[Pd:55]([Cl:56])[Cl:57].[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1=[CH:7][CH2:8][C:9]([CH3:19])([CH3:20])[c:10]2[cH:11][c:12]([C:17]#[C:18][c:28]3[cH:27][c:26]([F:32])[c:25]([CH2:24][C:23]([O:22][CH3:21])=[O:33])[cH:30][cH:29]3)[c:13]([CH3:16])[cH:14][c:15]21

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 86600199HCID 86600199, compound

Product 1

HCID 69070610HCID 69070610, compound

Sources & evidence

ORD record
ord-cbf6bd454ea843a78809996470c88c38
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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