Sodium ion → N2-{4-[4-amino-1-(2-hydroxyethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}-1-methyl-1H-2-indolecarboxamide
Reaction equation
[CH3:15][O:16][c:17]1[c:18]([NH:32][C:33](=[O:34])[c:35]2[n:36]([CH3:44])[c:37]3[cH:38][cH:39][cH:40][cH:41][c:42]3[cH:43]2)[cH:19][cH:20][c:21]([B:23]2[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]2)[cH:22]1.[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:12][CH2:13][OH:14])[n:9][c:10]2[I:11].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[OH2:57].[Pd:134].[c:115]1([P:116]([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130][cH:131][cH:132][cH:133]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1.[c:96]1([P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111][cH:112][cH:113][cH:114]1>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:12][CH2:13][OH:14])[n:9][c:10]2-[c:21]1[cH:20][cH:19][c:18]([NH:32][C:33](=[O:34])[c:35]2[n:36]([CH3:44])[c:37]3[cH:38][cH:39][cH:40][cH:41][c:42]3[cH:43]2)[c:17]([O:16][CH3:15])[cH:22]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-33dd99faa9d94e678fd246afac62ec32
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…