Ammonium → 4-(3-Cyclopentyloxy-4-methoxyphenyl)-4-[5-(5-methyl-[1,2,4]oxadiazol-2-yl)thien-2-ylethynyl]cyclohexan-1-one

HRID 684580Notes

Reaction equation

HRID 684580 reaction equation
[Br:24][c:25]1[s:26][c:27]([N:30]2[O:31][C:32]([CH3:35])=[N:33][CH2:34]2)[cH:28][cH:29]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:22]#[CH:23])[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][CH2:20]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl-:36].[Cu:122][I:123].[NH4+:37].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:22]#[C:23][c:25]4[s:26][c:27]([N:30]5[O:31][C:32]([CH3:35])=[N:33][CH2:34]5)[cH:28][cH:29]4)[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][CH2:20]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 108289304-(3-Cyclopentyloxy-4-methoxyphenyl)-4-ethynylcyclohexan-1-oneHCID 696901172-Bromo-5-(5-methyl-[1,2,4]oxadiazol-2-yl)thiopheneHCID 178420554HCID 178420554, compound

Product 1

HCID 867536214-(3-Cyclopentyloxy-4-methoxyphenyl)-4-[5-(5-methyl-[1,2,4]oxadiazol-2-yl)thien-2-ylethynyl]cyclohexan-1-one

Sources & evidence

ORD record
ord-dbf8f710022b44adbad4ebedabc6324e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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