Dimethylformamide → 4-(2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-8-((4-(tetrahydro-2H-pyran-4-yl)piperazin-1-yl)methyl)-9H-purin-6-yl)morpholine

HRID 114790Notes

Reaction equation

HRID 114790 reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[CH:31]([CH3:32])([CH3:33])[c:34]1[n:35][c:36]2[c:37]([nH:38]1)[cH:39][cH:40][cH:41][cH:42]2.[Cl:1][c:2]1[n:3][c:4]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH2:15][N:16]([CH:19]4[CH2:20][CH2:21][O:22][CH2:23][CH2:24]4)[CH2:17][CH2:18]3)[n:8]([CH3:11])[c:9]2[n:10]1.[Cs+:47].[Cs+:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:54].[Pd:55]>>[c:2]1(-[n:35]2[c:34]([CH:31]([CH3:32])[CH3:33])[n:38][c:37]3[c:36]2[cH:42][cH:41][cH:40][cH:39]3)[n:3][c:4]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH2:15][N:16]([CH:19]4[CH2:20][CH2:21][O:22][CH2:23][CH2:24]4)[CH2:17][CH2:18]3)[n:8]([CH3:11])[c:9]2[n:10]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 221212-(propan-2-yl)-1H-1,3-benzodiazoleHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 596055882-Chloro-9-methyl-6-morpholin-4-yl-8-[4-(tetrahydropyran-4-yl)piperazin-1-ylmethyl]-9H-purine

Product 1

HCID 596054994-(2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-8-((4-(tetrahydro-2H-pyran-4-yl)piperazin-1-yl)methyl)-9H-purin-6-yl)morpholine

Sources & evidence

ORD record
ord-ada68ed9342b4d80862811b17363369b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…