Sodium ion → N2-(4-{4-amino-1-[1-(2-methoxyethyl)-3-piperidyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-5,7-dimethyl-1,3-benzoxazol-2-amine

HRID 199289Notes

Reaction equation

HRID 199289 reaction equation
[CH3:22][c:23]1[cH:24][c:25]([CH3:48])[c:26]2[c:27]([n:28][c:29]([NH:31][c:32]3[cH:33][cH:34][c:35]([B:38]4[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]4)[cH:36][cH:37]3)[o:30]2)[cH:47]1.[CH3:55][O:56][CH2:57][CH2:58][O:59][CH3:60].[I:1][c:2]1[n:3][n:4]([CH:12]2[CH2:13][N:14]([CH2:18][CH2:19][O:20][CH3:21])[CH2:15][CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[OH2:61].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([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)([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([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)[P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([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)[cH:137][cH:138]1>>[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([NH:31][c:29]3[n:28][c:27]4[c:26]([c:25]([CH3:48])[cH:24][c:23]([CH3:22])[cH:47]4)[o:30]3)[cH:37][cH:36]2)[n:3][n:4]([CH:12]2[CH2:13][N:14]([CH2:18][CH2:19][O:20][CH3:21])[CH2:15][CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 11581347(5,7-Dimethyl-benzoxazol-2-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amineHCID 223468103-iodo-1-[1-(2-methoxyethyl)-3-piperidyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amineHCID 178420554HCID 178420554, compound

Product 1

HCID 22347051N2-(4-{4-amino-1-[1-(2-methoxyethyl)-3-piperidyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-5,7-dimethyl-1,3-benzoxazol-2-amine

Sources & evidence

ORD record
ord-0f49f4e913d443a9b85ffb446951979f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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