Potassium Cation → 1,1-dimethylethyl [2-({[2-(3-furanyl)-5-(1-methyl-1H-pyrazol-5-yl)-3-thienyl]carbonyl}amino)-3-phenylpropyl]carbamate

HRID 152736Notes

Reaction equation

HRID 152736 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:12](=[O:13])[NH:14][CH:15]([CH2:16][NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:5](-[c:7]2[cH:8][o:9][cH:10][cH:11]2)[s:6]1.[CH3:32][C:33]1([CH3:34])[CH2:35][O:36][B:37]([c:39]2[cH:40][cH:41][n:42][n:43]2[CH3:44])[O:38][CH2:45]1.[K+:46].[K+:47].[O-:48][C:49]([O-:50])=[O:51].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[OH2:58].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[c:2]1(-[c:39]2[cH:40][cH:41][n:42][n:43]2[CH3:44])[cH:3][c:4]([C:12](=[O:13])[NH:14][CH:15]([CH2:16][NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:5](-[c:7]2[cH:8][o:9][cH:10][cH:11]2)[s:6]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 441194445-(5,5-Dimethyl-1,3,2-dioxaborinan-2-YL)-1-methyl-1H-pyrazoleHCID 581729311,1-Dimethylethyl [2-({[5-bromo-2-(3-furanyl)-3-thienyl]carbonyl}amino)-3-phenylpropyl]carbamateHCID 178420554HCID 178420554, compound

Product 1

HCID 581729091,1-dimethylethyl [2-({[2-(3-furanyl)-5-(1-methyl-1H-pyrazol-5-yl)-3-thienyl]carbonyl}amino)-3-phenylpropyl]carbamate

Sources & evidence

ORD record
ord-2e3e0a1fd0144eb4a476a4078e2fe0ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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