Dimethylformamide → (1-{2-[5-(6-{2-[1-(2-Methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-ylethynyl}-naphthalen-2-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

HRID 2338254Notes

Reaction equation

HRID 2338254 reaction equation
[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH:12]([c:16]2[nH:17][c:18]([C:21]#[CH:22])[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:23].[CH3:24][O:25][C:26]([NH:27][CH:28]([CH:29]([CH3:30])[CH3:31])[C:32](=[O:33])[N:34]1[CH:35]([c:39]2[nH:40][c:41](-[c:44]3[cH:45][c:46]4[cH:47][cH:48][c:49]([Br:54])[cH:50][c:51]4[cH:52][cH:53]3)[cH:42][n:43]2)[CH2:36][CH2:37][CH2:38]1)=[O:55].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[Cu:145][I:146].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[cH:68]1[cH:69][cH:70][c:71]([P:72]([Pd:73]([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[P:112]([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)([c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[cH:143][cH:144]1>>[CH3:1][O:2][C:3]([NH:4][CH:5]([CH:6]([CH3:7])[CH3:8])[C:9](=[O:10])[N:11]1[CH:12]([c:16]2[nH:17][c:18]([C:21]#[C:22][c:49]3[cH:48][cH:47][c:46]4[cH:45][c:44](-[c:41]5[nH:40][c:39]([CH:35]6[N:34]([C:32]([CH:28]([NH:27][C:26]([O:25][CH3:24])=[O:55])[CH:29]([CH3:30])[CH3:31])=[O:33])[CH2:38][CH2:37][CH2:36]6)[n:43][cH:42]5)[cH:53][cH:52][c:51]4[cH:50]3)[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:23]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 66620357(1-{2-[5-(6-Bromonaphthalen-2-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl esterHCID 76818854{1-[2-(5-Ethynyl-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid methyl esterHCID 178420554HCID 178420554, compound

Product 1

HCID 66620069(1-{2-[5-(6-{2-[1-(2-Methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-ylethynyl}-naphthalen-2-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

Sources & evidence

ORD record
ord-474767f962aa46a786d3448a82161fba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…