Potassium Cation → 2-{5-[4-(6-{2-[1-(2-Methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl]-naphthalen-2-yl)-phenyl]-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester

HRID 2122248Notes

Reaction equation

HRID 2122248 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:13]2[nH:14][c:15](-[c:18]3[cH:19][cH:20][c:21]([Br:24])[cH:22][cH:23]3)[cH:16][n:17]2)[CH2:10][CH2:11][CH2:12]1.[CH3:25][O:26][C:27]([NH:28][CH:29]([CH:30]([CH3:31])[CH3:32])[C:33](=[O:34])[N:35]1[CH:36]([c:40]2[nH:41][c:42](-[c:45]3[cH:46][c:47]4[cH:48][cH:49][c:50]([B:55]5[O:56][C:57]([CH3:58])([CH3:59])[C:60]([CH3:61])([CH3:62])[O:63]5)[cH:51][c:52]4[cH:53][cH:54]3)[cH:43][n:44]2)[CH2:37][CH2:38][CH2:39]1)=[O:64].[CH3:73][O:74][CH2:75][CH2:76][O:77][CH3:78].[CH3:79][CH2:80][O:81][C:82]([CH3:83])=[O:84].[CH3:85][OH:86].[K+:70].[K+:71].[K+:72].[O:107]=[C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)[CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[O:125]=[C:126]([CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1)[CH:135]=[CH:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[P:65]([O-:66])([O-:67])([O-:68])=[O:69].[Pd:87].[Pd:88]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:13]2[nH:14][c:15](-[c:18]3[cH:19][cH:20][c:21](-[c:50]4[cH:49][cH:48][c:47]5[cH:46][c:45](-[c:42]6[nH:41][c:40]([CH:36]7[N:35]([C:33]([CH:29]([NH:28][C:27]([O:26][CH3:25])=[O:64])[CH:30]([CH3:31])[CH3:32])=[O:34])[CH2:39][CH2:38][CH2:37]7)[n:44][cH:43]6)[cH:54][cH:53][c:52]5[cH:51]4)[cH:22][cH:23]3)[cH:16][n:17]2)[CH2:10][CH2:11][CH2:12]1

Participants

10

Reactant 9

HCID 813Potassium Cation3×HCID 887MethanolHCID 1061PhosphateHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 547756232-[5-(4-bromo-phenyl)-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl esterHCID 66620765[2-Methyl-1-(2-{4-[6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-naphthalen-2-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-propyl]-carbamic acid methyl ester

Product 1

HCID 666204642-{5-[4-(6-{2-[1-(2-Methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl]-naphthalen-2-yl)-phenyl]-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-b9d8977c108441d095643c05a3c87312
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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