Hexane → 2-{4-[5-(Cyclopropyl-methyl-amino)-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl]-phenyl}-2-methyl-propionic acid methyl ester

HRID 668549Notes

Reaction equation

HRID 668549 reaction equation
[CH2:52]([N:53]([CH2:54][CH3:55])[CH2:56][CH3:57])[CH3:58].[CH3:20][O:21][C:22]([C:23]([CH3:24])([CH3:25])[c:26]1[cH:27][cH:28][c:29]([C:32]#[C:33][c:34]2[cH:35][c:36]([CH:37]3[CH2:38][CH2:39]3)[c:40]3[c:49]([cH:50]2)[C:46]([CH3:47])([CH3:48])[CH2:45][C:42]2([O:41]3)[CH2:43][CH2:44]2)[cH:30][cH:31]1)=[O:51].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[CH3:65][CH2:66][CH2:67][CH2:68][CH2:69][CH3:70].[CH:1]1([N:4]([CH:5]2[c:6]3[cH:7][cH:8][c:9]([C:17]#[CH:18])[cH:10][c:11]3[C:12]([CH3:15])([CH3:16])[CH2:13][CH2:14]2)[CH3:19])[CH2:2][CH2:3]1.[Cu:71][I:72].[cH:73]1[cH:74][cH:75][c:76]([P:77]([Pd:78]([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[P:117]([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)([c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[c:142]2[cH:143][cH:144][cH:145][cH:146][cH:147]2)[cH:148][cH:149]1>>[CH:1]1([N:4]([CH:5]2[c:6]3[cH:7][cH:8][c:9]([C:17]#[C:18][c:29]4[cH:28][cH:27][c:26]([C:23]([C:22]([O:21][CH3:20])=[O:51])([CH3:24])[CH3:25])[cH:31][cH:30]4)[cH:10][c:11]3[C:12]([CH3:15])([CH3:16])[CH2:13][CH2:14]2)[CH3:19])[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 8058HexaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 211071955-(Cyclopropyl-methyl-amino)-2-ethynyl-8,8-dimethyl-5,6,7,8-tetrahydro-naphthaleneHCID 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 esterHCID 178420554HCID 178420554, compound

Product 1

HCID 690695532-{4-[5-(Cyclopropyl-methyl-amino)-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl]-phenyl}-2-methyl-propionic acid methyl ester

Sources & evidence

ORD record
ord-a43a7ffa3de449b48ed0672d49ed66c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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