Sodium ion → [3-(6-benzylamino-pyridin-2-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-(2-piperidin-1-yl-ethyl)-amine

HRID 177843Notes

Reaction equation

HRID 177843 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6](-[c:8]2[n:9][n:10]([CH2:26][O:27][CH2:28][CH2:29][Si:30]([CH3:31])([CH3:32])[CH3:33])[c:11]3[n:12][c:13]([NH:17][CH2:18][CH2:19][N:20]4[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]4)[n:14][cH:15][c:16]23)[n:7]1.[CH3:42][C:43]([CH3:44])([O-:45])[CH3:46].[N:48]#[N:49].[NH2:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Na+:47].[O:106]1[CH2:107][CH2:108][O:109][CH2:110][CH2:111]1.[O:52]=[C:53]([CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:50].[Pd:51]>>[c:2]1([NH:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:3][cH:4][cH:5][c:6](-[c:8]2[n:9][n:10]([CH2:26][O:27][CH2:28][CH2:29][Si:30]([CH3:31])([CH3:32])[CH3:33])[c:11]3[n:12][c:13]([NH:17][CH2:18][CH2:19][N:20]4[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]4)[n:14][cH:15][c:16]23)[n:7]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 947NitrogenHCID 7504BenzylamineHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 45749132-Methylpropan-2-olateHCID 86667964[3-(6-bromo-pyridin-2-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-(2-piperidin-1-yl-ethyl)-amine

Product 1

HCID 68109557[3-(6-benzylamino-pyridin-2-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-(2-piperidin-1-yl-ethyl)-amine

Sources & evidence

ORD record
ord-d97592ad0b2d45a9995ba7be519adb79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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