Potassium Cation → [1-(2-{5-[4'-(2-tert-butoxycarbonylamino-acetyl)-biphenyl-4-yl]-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester

HRID 1136552Notes

Reaction equation

HRID 1136552 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][C:9](=[O:10])[c:11]1[cH:12][cH:13][c:14]([Br:17])[cH:15][cH:16]1)=[O:18].[C:55](=[O:56])([O-:57])[O-:58].[CH3:19][O:20][C:21]([NH:22][CH:23]([CH:24]([CH3:25])[CH3:26])[C:27](=[O:28])[N:29]1[CH:30]([c:34]2[nH:35][c:36](-[c:39]3[cH:40][cH:41][c:42]([B:45]4[O:46][C:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[O:53]4)[cH:43][cH:44]3)[cH:37][n:38]2)[CH2:31][CH2:32][CH2:33]1)=[O:54].[CH3:61][O:62][CH2:63][CH2:64][O:65][CH3:66].[K+:59].[K+:60].[OH2:144].[cH:67]1[cH:68][cH:69][c:70]([P:71]([Pd:72]([P:73]([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)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([P:92]([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)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[P:111]([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)[c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[cH:142][cH:143]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][C:9](=[O:10])[c:11]1[cH:12][cH:13][c:14](-[c:42]2[cH:41][cH:40][c:39](-[c:36]3[nH:35][c:34]([CH:30]4[N:29]([C:27]([CH:23]([NH:22][C:21]([O:20][CH3:19])=[O:54])[CH:24]([CH3:25])[CH3:26])=[O:28])[CH2:33][CH2:32][CH2:31]4)[n:38][cH:37]3)[cH:44][cH:43]2)[cH:15][cH:16]1)=[O:18]

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 59610197tert-butyl N-[2-(4-bromophenyl)-2-oxoethyl]carbamateHCID 66619939[2-Methyl-1-(2-{4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl)-propyl]-carbamic acid methyl esterHCID 178420554HCID 178420554, compound

Product 1

HCID 66620939[1-(2-{5-[4'-(2-tert-butoxycarbonylamino-acetyl)-biphenyl-4-yl]-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester

Sources & evidence

ORD record
ord-bc6c63d8dcc747f5b43142e9d35177fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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