Potassium Cation → 6-{5-[4-(6-{2-[2-(2-Methoxycarbonylamino-3-methyl-butyryl)-2-aza-bicyclo[2.2.1]hept-3-yl]-3H-imidazol-4-yl}-naphthalen-2-yl)-phenyl]-1H-imidazol-2-yl}-5-aza-spiro[2.4]heptane-5-carboxylic acid tert-butyl ester

HRID 2332612Notes

Reaction equation

HRID 2332612 reaction equation
[C:105]([CH3:106])([CH3:107])([CH3:108])[O:109][C:110](=[O:111])[N:112]1[CH2:113][C:114]2([CH2:115][CH2:116]2)[CH2:117][CH:118]1[c:119]1[nH:120][c:121](-[c:124]2[cH:125][cH:126][c:127]([Br:130])[cH:128][cH:129]2)[cH:122][n:123]1.[C:131](=[O:132])([O-:133])[O-:134].[CH3:137][CH2:138][O:139][C:140](=[O:141])[CH3:142].[CH3:1][O:2][C:3](=[O:4])[NH:5][CH:6]([C:7]([N:8]1[CH:9]([c:10]2[nH:11][c:12](-[c:13]3[cH:14][cH:15][c:16]4[c:17]([cH:18][cH:19][c:20](-[c:21]5[cH:22][cH:23][c:24](-[c:25]6[nH:26][c:27]([CH:28]7[CH:29]8[CH2:30][CH:31]([CH2:32][CH2:33]8)[N:34]7[C:35](=[O:36])[CH:37]([NH:38][C:39]([O:40][CH3:41])=[O:42])[CH:43]([CH3:44])[CH3:45])[n:46][cH:47]6)[cH:48][cH:49]5)[cH:50]4)[cH:51]3)[cH:52][n:53]2)[CH2:54][C:55]2([CH2:56][CH2:57]2)[CH2:58]1)=[O:59])[CH:60]([CH3:61])[CH3:62].[CH3:63][O:64][C:65]([NH:66][CH:67]([CH:68]([CH3:69])[CH3:70])[C:71](=[O:72])[N:73]1[CH:74]2[CH2:75][CH2:76][CH:77]([CH:78]1[c:79]1[nH:80][c:81](-[c:84]3[cH:85][c:86]4[cH:87][cH:88][c:89]([B:94]5[O:95][C:96]([CH3:97])([CH3:98])[C:99]([CH3:100])([CH3:101])[O:102]5)[cH:90][c:91]4[cH:92][cH:93]3)[cH:82][n:83]1)[CH2:103]2)=[O:104].[K+:135].[K+:136]>>[CH3:63][O:64][C:65]([NH:66][CH:67]([CH:68]([CH3:69])[CH3:70])[C:71](=[O:72])[N:73]1[CH:74]2[CH2:75][CH2:76][CH:77]([CH:78]1[c:79]1[nH:80][c:81](-[c:84]3[cH:85][c:86]4[cH:87][cH:88][c:89](-[c:127]5[cH:126][cH:125][c:124](-[c:121]6[nH:120][c:119]([CH:118]7[N:112]([C:110]([O:109][C:105]([CH3:106])([CH3:107])[CH3:108])=[O:111])[CH2:113][C:114]8([CH2:115][CH2:116]8)[CH2:117]7)[n:123][cH:122]6)[cH:129][cH:128]5)[cH:90][c:91]4[cH:92][cH:93]3)[cH:82][n:83]1)[CH2:103]2)=[O:104]

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 666203726-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-5-aza-spiro[2.4]heptane-5-carboxylic acid tert-butyl esterHCID 66620704[1-(6-{5-[6-(4-{2-[2-(2-Methoxycarbonylamino-3-methyl-butyryl)-2-aza-bicyclo[2.2.1]hept-3-yl]-3H-imidazol-4-yl]-phenyl)-naphthalen-2-yl]-1H-imidazol-2-yl]-5-aza-spiro[2.4]heptane-5-carbonyl)-2-methyl-propyl]-carbamic acid methyl esterHCID 66620723[2-Methyl-1-(3-{5-[6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-naphthalen-2-yl]-1H-imidazol-2-yl}-2-aza-bicyclo[2.2.1]heptane-2-carbonyl)-propyl]carbamic acid methyl ester

Product 1

HCID 666207706-{5-[4-(6-{2-[2-(2-Methoxycarbonylamino-3-methyl-butyryl)-2-aza-bicyclo[2.2.1]hept-3-yl]-3H-imidazol-4-yl}-naphthalen-2-yl)-phenyl]-1H-imidazol-2-yl}-5-aza-spiro[2.4]heptane-5-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-212d019e98d046ccb7f8963b4082931e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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