Acetonitrile → N-(2-(3-Methylbut-1-ynyl)-5-nitrophenyl)butyramide

HRID 2131579Notes

Reaction equation

HRID 2131579 reaction equation
[CH3:24][CH:25]([C:26]#[CH:27])[CH3:28].[CH3:29][C:30]#[N:31].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cu:39][I:40].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8]([NH:16][C:17]([CH2:18][CH2:19][CH3:20])=[O:21])[cH:9][c:10]([N+:13](=[O:14])[O-:15])[cH:11][cH:12]1)(=[O:22])=[O:23].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([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)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[c:7]1([C:27]#[C:26][CH:25]([CH3:24])[CH3:28])[c:8]([NH:16][C:17]([CH2:18][CH2:19][CH3:20])=[O:21])[cH:9][c:10]([N+:13](=[O:14])[O-:15])[cH:11][cH:12]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 690193-Methylbut-1-yneHCID 112912342-Butyramido-4-nitrophenyl trifluoromethanesulfonateHCID 178420554HCID 178420554, compound

Product 1

HCID 59762443N-(2-(3-Methylbut-1-ynyl)-5-nitrophenyl)butyramide

Sources & evidence

ORD record
ord-c0bce8fb364d4de7933c778dc1eb5ace
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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