1,4-Dioxane → 2-(1-((2-(1-aminoisoquinolin-5-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol
Reaction equation
[Br:41][c:42]1[c:43]2[cH:44][cH:45][n:46][c:47]([NH2:52])[c:48]2[cH:49][cH:50][cH:51]1.[CH2:53]1[O:54][CH2:55][CH2:56][O:57][CH2:58]1.[CH3:1][n:2]1[c:3]2[n:4][c:5]([Sn:28]([CH2:29][CH2:30][CH2:31][CH3:32])([CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40])[n:6][c:7]([N:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[c:8]2[n:9][c:10]1[CH2:11][N:12]1[CH2:13][CH2:14][CH:15]([C:18]([CH3:19])([CH3:20])[OH:21])[CH2:16][CH2:17]1.[Cu+:67].[cH:68]1[cH:69][cH:70][c:71]([P:72]([Pd:73]([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[P:112]([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)([c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[cH:143][cH:144]1.[s:59]1[cH:60][cH:61][cH:62][c:63]1[C:64]([O-:65])=[O:66]>>[CH3:1][n:2]1[c:3]2[n:4][c:5](-[c:42]3[c:43]4[cH:44][cH:45][n:46][c:47]([NH2:52])[c:48]4[cH:49][cH:50][cH:51]3)[n:6][c:7]([N:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[c:8]2[n:9][c:10]1[CH2:11][N:12]1[CH2:13][CH2:14][CH:15]([C:18]([CH3:19])([CH3:20])[OH:21])[CH2:16][CH2:17]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-9d21340ecddf4f208ae3e92f799e6fbb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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