Hexane → HCID 57424266, compound

HRID 1550372Notes

Reaction equation

HRID 1550372 reaction equation
[CH2:1]([O:2][C:3](=[O:4])[CH:5]=[CH:6][c:7]1[cH:8][cH:9][c:10]([C:13]#[C:14][c:15]2[cH:16][c:17]3[c:22]([c:23]([CH:25]4[CH2:26][CH2:27]4)[cH:24]2)[CH:21]([N:28]([CH3:29])[CH:30]2[CH2:31][CH2:32]2)[CH2:20][CH2:19][C:18]3([CH3:33])[CH3:34])[cH:11][cH:12]1)[CH3:35].[CH2:68]([N:69]([CH2:70][CH3:71])[CH2:72][CH3:73])[CH3:74].[CH3:36][O:37][C:38]([C:39]([CH3:40])([CH3:41])[c:42]1[cH:43][cH:44][c:45]([C:46]#[C:47][c:48]2[cH:49][c:50]([CH:51]3[CH2:52][CH2:53]3)[c:54]3[c:63]([cH:64]2)[C:60]([CH3:61])([CH3:62])[CH2:59][C:56]2([O:55]3)[CH2:57][CH2:58]2)[cH:65][cH:66]1)=[O:67].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[CH3:81][CH2:82][CH2:83][CH2:84][CH2:85][CH3:86].[Cu:87][I:88].[Pd:89]([Cl:90])[Cl:91].[c:111]1([P:112]([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126][cH:127][cH:128][cH:129]1.[c:92]1([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107][cH:108][cH:109][cH:110]1>>[c:7]1([C:39]([C:38]([O:37][CH3:36])=[O:67])([CH3:40])[CH3:41])[cH:8][cH:9][c:10]([C:13]#[C:14][c:15]2[cH:16][c:17]3[c:22]([c:23]([CH:25]4[CH2:26][CH2:27]4)[cH:24]2)[CH:21]([N:28]([CH3:29])[CH:30]2[CH2:31][CH2:32]2)[CH2:20][CH2:19][C:18]3([CH3:33])[CH3:34])[cH:11][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 69075690HCID 69075690, compoundHCID 690773412-{4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-phenyl}-2-methyl-propionic acid methyl ester

Product 1

HCID 57424266HCID 57424266, compound

Sources & evidence

ORD record
ord-8a48c3f8a9ff4a5590ac4c50a1b6f08c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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