2-Pyrrolidone → N-[6-(3,3-dimethylbutylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-4-fluoro-3-(2-oxopyrrolidin-1-yl)benzamide

HRID 152506Notes

Reaction equation

HRID 152506 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]([CH:9]([CH2:10][CH:11]([CH3:12])[C:13]([NH:14][CH2:15][CH2:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[OH:22])[NH:23][C:24]([c:25]1[cH:26][c:27]([Br:32])[c:28]([F:31])[cH:29][cH:30]1)=[O:33].[CH3:46][C:47]1([CH3:48])[c:49]2[cH:50][cH:51][cH:52][c:53]([P:54]([c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[c:61]3[cH:62][cH:63][cH:64][cH:65][cH:66]3)[c:67]2[O:68][c:69]2[c:70]1[cH:71][cH:72][cH:73][c:74]2[P:75]([c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[Cs+:38].[Cs+:39].[NH:40]1[C:41](=[O:45])[CH2:42][CH2:43][CH2:44]1.[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:126]=[C:127]([CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1)[CH:136]=[CH:137][c:138]1[cH:139][cH:140][cH:141][cH:142][cH:143]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:88].[Pd:89]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]([CH:9]([CH2:10][CH:11]([CH3:12])[C:13]([NH:14][CH2:15][CH2:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[OH:22])[NH:23][C:24]([c:25]1[cH:26][c:27]([N:40]2[C:41](=[O:45])[CH2:42][CH2:43][CH2:44]2)[c:28]([F:31])[cH:29][cH:30]1)=[O:33]

Participants

8

Reactant 7

HCID 120252-PyrrolidoneHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 222530003-bromo-N-[6-(3,3-dimethylbutylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-4-fluorobenzamide

Product 1

HCID 22253059N-[6-(3,3-dimethylbutylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-4-fluoro-3-(2-oxopyrrolidin-1-yl)benzamide

Sources & evidence

ORD record
ord-07708bf1a3af47879926bbf7baa84856
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…