2-Ethylbenzimidazole → 4-(8-((2,2-dimethyl-4-(oxetan-3-yl)piperazin-1-yl)methyl)-2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-9H-purin-6-yl)morpholine
Reaction equation
[C:42](=[O:43])([O-:44])[O-:45].[CH2:31]([CH3:32])[c:33]1[nH:34][c:35]2[c:36]([n:37]1)[cH:38][cH:39][cH:40][cH:41]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[C:14]([CH3:23])([CH3:24])[CH2:15][N:16]([CH:19]4[CH2:20][O:21][CH2:22]4)[CH2:17][CH2:18]3)[n:8]([CH3:11])[c:9]2[n:10]1.[Cs+:46].[Cs+:47].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[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:34]2[c:33]([CH2:31][CH3:32])[n:37][c:36]3[c:35]2[cH:41][cH:40][cH:39][cH:38]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[C:14]([CH3:23])([CH3:24])[CH2:15][N:16]([CH:19]4[CH2:20][O:21][CH2:22]4)[CH2:17][CH2:18]3)[n:8]([CH3:11])[c:9]2[n:10]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-0a5c45e52ca34ed1918752567366153a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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