Sodium ion → N2-{4-[4-amino-1-(1-methyl-3-piperidyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-5,7-dimethyl-1,3-benzoxazol-2-amine
Reaction equation
[CH3:19][c:20]1[cH:21][c:22]([CH3:45])[c:23]2[c:24]([n:25][c:26]([NH:28][c:29]3[cH:30][cH:31][c:32]([B:35]4[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]4)[cH:33][cH:34]3)[o:27]2)[cH:44]1.[CH3:52][O:53][CH2:54][CH2:55][O:56][CH3:57].[I:1][c:2]1[n:3][n:4]([CH:12]2[CH2:13][N:14]([CH3:18])[CH2:15][CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[OH2:58].[Pd:59].[c:117]1([P:118]([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)[cH:131][cH:132][cH:133][cH:134][cH:135]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([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)[cH:93][cH:94][cH:95][cH:96][cH:97]1.[c:98]1([P:99]([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)[cH:112][cH:113][cH:114][cH:115][cH:116]1>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29]([NH:28][c:26]3[n:25][c:24]4[c:23]([c:22]([CH3:45])[cH:21][c:20]([CH3:19])[cH:44]4)[o:27]3)[cH:34][cH:33]2)[n:3][n:4]([CH:12]2[CH2:13][N:14]([CH3:18])[CH2:15][CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12Participants
9
Reactant 8
HCID 923Sodium ion2×
HCID 962Water
HCID 80711,2-Dimethoxyethane
HCID 11776Triphenylphosphine4×
HCID 19660Carbonate Ion
HCID 23938Palladium
HCID 11581347(5,7-Dimethyl-benzoxazol-2-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amine
HCID 223473453-iodo-1-(1-methyl-3-piperidyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineProduct 1
Sources & evidence
- ORD record
- ord-99947663a7b04b5187d851b912b567cb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…