Hexane → HCID 69076829, compound

HRID 199356Notes

Reaction equation

HRID 199356 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].[CH2:67]([N:68]([CH2:69][CH3:70])[CH2:71][CH3:72])[CH3:73].[CH3:36][O:37][C:38]([CH:39]([c:40]1[cH:41][cH:42][c:43]([C:44]#[C:45][c:46]2[cH:47][c:48]([CH:49]3[CH2:50][CH2:51]3)[c:52]3[c:61]([cH:62]2)[C:58]([CH3:59])([CH3:60])[CH2:57][C:54]2([O:53]3)[CH2:55][CH2:56]2)[cH:63][cH:64]1)[CH3:65])=[O:66].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[CH3:80][CH2:81][CH2:82][CH2:83][CH2:84][CH3:85].[Cu:86][I:87].[Pd:88]([Cl:89])[Cl:90].[c:110]1([P:111]([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125][cH:126][cH:127][cH:128]1.[c:91]1([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106][cH:107][cH:108][cH:109]1>>[CH3:5][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)[C:38]([O:37][CH3:36])=[O:66]

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 690752312-{4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-phenyl}-propionic acid methyl esterHCID 69075690HCID 69075690, compound

Product 1

HCID 69076829HCID 69076829, compound

Sources & evidence

ORD record
ord-6827ca5e8d0d4d37a826de1f10b441c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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