Nitrogen → N-[3-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-([5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]ethynyl}benzamide

HRID 319903Notes

Reaction equation

HRID 319903 reaction equation
[C:1](#[CH:2])[c:3]1[cH:4][n:5][cH:6][c:7]([CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[cH:8]1.[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[Cu:134][I:135].[N:50]#[N:51].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([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)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1.[n:15]1(-[c:20]2[cH:21][c:22]([NH:30][C:31]([c:32]3[cH:33][c:34]([I:39])[c:35]([CH3:38])[cH:36][cH:37]3)=[O:40])[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]2)[cH:16][n:17][cH:18][cH:19]1>>[C:1](#[C:2][c:34]1[cH:33][c:32]([C:31]([NH:30][c:22]2[cH:21][c:20](-[n:15]3[cH:16][n:17][cH:18][cH:19]3)[cH:25][c:24]([C:26]([F:27])([F:28])[F:29])[cH:23]2)=[O:40])[cH:37][cH:36][c:35]1[CH3:38])[c:3]1[cH:4][n:5][cH:6][c:7]([CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[cH:8]1

Participants

8

Reactant 7

HCID 947NitrogenHCID 6228DimethylformamideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 81531DiisopropylethylamineHCID 212559433-Ethynyl-5-(pyrrolidin-1-ylmethyl)pyridineHCID 44222638N-(3-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-iodo-4-methylbenzamideHCID 178420554HCID 178420554, compound

Product 1

HCID 24873330N-[3-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-([5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]ethynyl}benzamide

Sources & evidence

ORD record
ord-5827f6940b6b473bab40087cdeb3c799
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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