Bicarbonate Ion → tert-butyl 2-[5-[4-[4-(2-acetamido-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

HRID 1141718Notes

Reaction equation

HRID 1141718 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][n:10][c:11]([NH:13][C:14]([CH3:15])=[O:16])[nH:12]2)[cH:6][cH:7]1.[CH3:17][C:18]1([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23][B:24]([c:25]2[cH:26][cH:27][c:28](-[c:31]3[cH:32][n:33][c:34]([CH:36]4[N:37]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:38][CH2:39][CH2:40]4)[nH:35]3)[cH:29][cH:30]2)[O:48]1.[CH3:54][O:55][CH2:56][CH2:57][O:58][CH3:59].[Na+:53].[O-:49][C:50]([OH:51])=[O:52].[OH2:60].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[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)[cH:136][cH:137]1>>[c:2]1(-[c:25]2[cH:26][cH:27][c:28](-[c:31]3[cH:32][n:33][c:34]([CH:36]4[N:37]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:38][CH2:39][CH2:40]4)[nH:35]3)[cH:29][cH:30]2)[cH:3][cH:4][c:5](-[c:8]2[cH:9][n:10][c:11]([NH:13][C:14]([CH3:15])=[O:16])[nH:12]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 10468856N-[4-(4-Bromo-phenyl)-1H-imidazol-2-yl]-acetamideHCID 574497592-{4-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)phenyl]-1h-imidazol-2-yl}pyrrolidine-1-carboxylic acid tert-butyl esterHCID 178420554HCID 178420554, compound

Product 1

HCID 59347679tert-butyl 2-[5-[4-[4-(2-acetamido-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-926a9766255d4ede99b2e50bc27350f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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