2-Pyrrolidone → 1-[2-ethoxymethyl-1-(2-methylpropyl)-1H-imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one
Reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]2[c:6]3[c:7]([cH:8][n:9][c:10]2[cH:11]1)[n:12][c:13]([CH2:19][O:20][CH2:21][CH3:22])[n:14]3[CH2:15][CH:16]([CH3:17])[CH3:18].[C:23](=[O:24])([O-:25])[O-:26].[CH3:29][C:30]1([CH3:31])[c:32]2[cH:33][cH:34][cH:35][c:36]([P:37]([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50]2[O:51][c:52]2[c:53]1[cH:54][cH:55][cH:56][c:57]2[P:58]([c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[Cs+:27].[Cs+:28].[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:133]1[CH2:134][CH2:135][O:136][CH2:137][CH2:138]1.[O:71]=[C:72]1[CH2:73][CH2:74][CH2:75][NH:76]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:77].[Pd:78]>>[c:2]1([N:76]2[C:72](=[O:71])[CH2:73][CH2:74][CH2:75]2)[cH:3][n:4][c:5]2[c:6]3[c:7]([cH:8][n:9][c:10]2[cH:11]1)[n:12][c:13]([CH2:19][O:20][CH2:21][CH3:22])[n:14]3[CH2:15][CH:16]([CH3:17])[CH3:18]Participants
9
Reactant 8
HCID 120252-Pyrrolidone
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
HCID 670524337-bromo-2-(ethoxymethyl)-1-(2-methylpropyl)-1H-imidazo[4,5-c][1,5]naphthyridineProduct 1
Sources & evidence
- ORD record
- ord-52803eb597974025aeb02e093f6a9355
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
Loading…