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

HRID 1207550Notes

Reaction equation

HRID 1207550 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[n:40][c:41]3[c:42]([nH:43]2)[cH:44][c:45](-[c:48]2[cH:49][cH:50][c:51]([Br:54])[cH:52][cH:53]2)[cH:46][cH:47]3)[CH2:36][CH2:37][CH2:38]1)=[O:55].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[Cu:146][I:147].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:63].[cH:69]1[cH:70][cH:71][c:72]([P:73]([Pd:74]([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[P:113]([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)([c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[c:138]2[cH:139][cH:140][cH:141][cH:142][cH:143]2)[cH:144][cH:145]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:51]3[cH:50][cH:49][c:48](-[c:45]4[cH:44][c:42]5[c:41]([n: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)[nH:43]5)[cH:47][cH:46]4)[cH:53][cH:52]3)[cH:19][n:20]2)[CH2:13][CH2:14][CH2:15]1)=[O:23]

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 66620819(1-{2-[6-(4-Bromo-phenyl)-1H-benzoimidazol-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 49848172(1-{2-[6-(4-{2-[1-(2-Methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-ylethynyl}-phenyl)-1H-benzoimidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

Sources & evidence

ORD record
ord-22963886b74a44b18b77e20c96844c6b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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