Dimethylformamide → 4-(2-(2-cyclopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-8-((4-(oxetan-3-yl)piperidin-1-yl)methyl)-9H-purin-6-yl)morpholine
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[C:41](=[O:42])([O-:43])[O-:44].[CH:29]1([c:32]2[n:33][c:34]3[c:35]([nH:36]2)[cH:37][cH:38][cH:39][cH:40]3)[CH2:30][CH2:31]1.[Cl:1][c:2]1[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH2:15][CH: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+:45].[Cs+:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[O:54]=[C:55]([CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]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:52].[Pd:53]>>[c:2]1(-[n:33]2[c:32]([CH:29]3[CH2:30][CH2:31]3)[n:36][c:35]3[c:34]2[cH:40][cH:39][cH:38][cH:37]3)[n:3][c:4]([N:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH2:15][CH: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]1참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-a026899c03dc49fdb20db82a7c00da0a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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