Potassium Cation → 3-[4-(2-Cyano-phenylsulfanyl)-2-methoxy-phenyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

HRID 2325344Notes

Reaction equation

HRID 2325344 reaction equation
[Br:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1.[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH2:27][CH:28]([c:31]2[c:32]([O:38][CH3:39])[cH:33][c:34]([SH:37])[cH:35][cH:36]2)[CH2:29][CH2:30]1.[CH2:53]1[O:54][CH2:55][CH2:56][O:57][CH2:58]1.[CH:10]([N:11]([CH2:12][CH3:13])[CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[K+:45].[Na+:46].[Na+:47].[O-:48][S:49]([O-:50])(=[O:51])=[O:52].[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Pd:59].[Pd:60].[S:40](=[O:41])(=[O:42])([OH:43])[O-:44]>>[c:2]1([S:37][c:34]2[cH:33][c:32]([O:38][CH3:39])[c:31]([CH:28]3[CH2:27][N:26]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[CH2:30][CH2:29]3)[cH:36][cH:35]2)[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1

Participants

11

Reactant 10

HCID 813Potassium CationHCID 923Sodium ion2×HCID 1117Sulfate IonHCID 162722-BromobenzonitrileHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 61778Sulfate, hydrogenHCID 81531DiisopropylethylamineHCID 95417Dibenzylidene acetone3×HCID 594283563-(4-Mercapto-2-methoxy-phenyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 594284293-[4-(2-Cyano-phenylsulfanyl)-2-methoxy-phenyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-a2766cddca9145c0bc2d90a755986334
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…