Sodium ion → N2-{4-[4-amino-1-(1-methyl-3-azetanyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-5,7-dimethyl-1,3-benzoxazol-2-amine
Reaction equation
[CH3:17][c:18]1[cH:19][c:20]([CH3:43])[c:21]2[c:22]([n:23][c:24]([NH:26][c:27]3[cH:28][cH:29][c:30]([B:33]4[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]4)[cH:31][cH:32]3)[o:25]2)[cH:42]1.[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[I:1][c:2]1[n:3][n:4]([CH:12]2[CH2:13][N:14]([CH3:16])[CH2:15]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[Na+:44].[Na+:45].[O-:46][C:47](=[O:48])[O-:49].[OH2:56].[Pd:57].[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>>[c:2]1(-[c:30]2[cH:29][cH:28][c:27]([NH:26][c:24]3[n:23][c:22]4[c:21]([c:20]([CH3:43])[cH:19][c:18]([CH3:17])[cH:42]4)[o:25]3)[cH:32][cH:31]2)[n:3][n:4]([CH:12]2[CH2:13][N:14]([CH3:16])[CH2:15]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 223473823-iodo-1-(1-methyl-3-azetanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineProduct 1
Sources & evidence
- ORD record
- ord-e91b0aa5faf54112810867f1bd829ab1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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