2-Methylbenzimidazole → 2-(1-(2-(9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-6-morpholino-9H-purin-8-yl)ethyl)piperidin-4-yl)propan-2-ol
반응식
[C:40](=[O:41])([O-:42])[O-:43].[CH3:30][c:31]1[nH:32][c:33]2[c:34]([n:35]1)[cH:36][cH:37][cH:38][cH:39]2.[Cl:1][c:2]1[n:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[c:5]2[n:6][c:7]([CH2:12][CH2:13][N:14]3[CH2:15][CH2:16][CH:17]([C:20]([CH3:21])([CH3:22])[OH:23])[CH2:18][CH2:19]3)[n:8]([CH3:11])[c:9]2[n:10]1.[Cs+:44].[Cs+:45].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[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:32]2[c:31]([CH3:30])[n:35][c:34]3[c:33]2[cH:39][cH:38][cH:37][cH:36]3)[n:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[c:5]2[n:6][c:7]([CH2:12][CH2:13][N:14]3[CH2:15][CH2:16][CH:17]([C:20]([CH3:21])([CH3:22])[OH:23])[CH2:18][CH2:19]3)[n:8]([CH3:11])[c:9]2[n:10]1참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-131263a9bb374593a57c12fb5d186679
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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