Bicarbonate Ion → 4,4'-bis-[2-(2-tert-butoxycarbonyl-2-aza-bicyclo[2.2.1]hept-3-yl)-3H-imidazol-4-yl]-biphenyl

HRID 2129221Notes

Reaction equation

HRID 2129221 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][CH2:11][CH:12]([CH:13]1[c:14]1[nH:15][c:16](-[c:19]3[cH:20][cH:21][c:22]([B:25]4[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]4)[cH:23][cH:24]3)[cH:17][n:18]1)[CH2:34]2.[C:35]([CH3:36])([CH3:37])([CH3:38])[O:39][C:40](=[O:41])[N:42]1[CH:43]2[CH2:44][CH2:45][CH:46]([CH:47]1[c:48]1[nH:49][c:50](-[c:53]3[cH:54][cH:55][c:56]([Br:59])[cH:57][cH:58]3)[cH:51][n:52]1)[CH2:60]2.[C:61](=[O:62])([OH:63])[O-:64].[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[Na+:65].[OH2:66].[cH:73]1[cH:74][cH:75][c:76]([P:77]([Pd:78]([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[P:117]([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)([c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[c:142]2[cH:143][cH:144][cH:145][cH:146][cH:147]2)[cH:148][cH:149]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][CH2:11][CH:12]([CH:13]1[c:14]1[nH:15][c:16](-[c:19]3[cH:20][cH:21][c:22](-[c:56]4[cH:55][cH:54][c:53](-[c:50]5[nH:49][c:48]([CH:47]6[N:42]([C:40]([O:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:41])[CH:43]7[CH2:44][CH2:45][CH:46]6[CH2:60]7)[n:52][cH:51]5)[cH:58][cH:57]4)[cH:23][cH:24]3)[cH:17][n:18]1)[CH2:34]2

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 596109073-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl esterHCID 666205563-{5-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-imidazol-2-yl}-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl esterHCID 178420554HCID 178420554, compound

Product 1

HCID 666200084,4'-bis-[2-(2-tert-butoxycarbonyl-2-aza-bicyclo[2.2.1]hept-3-yl)-3H-imidazol-4-yl]-biphenyl

Sources & evidence

ORD record
ord-192d641ae9e045788d2930e8deaa2be9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…