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

HRID 2350637Notes

Reaction equation

HRID 2350637 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]#[C:45][c:46]3[cH:47][cH:48][c:49]([Br:52])[cH:50][cH:51]3)[cH:42][n:43]2)[CH2:36][CH2:37][CH2:38]1)=[O:53].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[Cu:143][I:144].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[cH:66]1[cH:67][cH:68][c:69]([P:70]([Pd:71]([P:72]([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)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([P:91]([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)[P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)([c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[cH:141][cH:142]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]([C:45]#[C:44][c:41]4[nH:40][c:39]([CH:35]5[N:34]([C:32]([CH:28]([NH:27][C:26]([O:25][CH3:24])=[O:53])[CH:29]([CH3:30])[CH3:31])=[O:33])[CH2:38][CH2:37][CH2:36]5)[n:43][cH:42]4)[cH:51][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 66620637(1-{2-[5-(4-bromo-phenylethynyl)-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 66621084(1-{2-[5-(4-{2-[1-(2-Methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-ylethynyl}-phenylethynyl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

Sources & evidence

ORD record
ord-3da14788f4204aabb8fb38cea5afb5bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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