Sodium ion → 2-Fluoro-4-{8-[4-(4-methyl-piperazin-1-yl)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl}-benzamide
Reaction equation
[CH3:44][C:45]([CH3:46])([O-:47])[CH3:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:11][c:12]2[cH:13][cH:14][c:15]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:16][cH:17]2)[c:6]2[n:7]1[n:8][cH:9][n:10]2.[F:25][c:26]1[c:27]([C:28](=[O:29])[NH2:30])[cH:31][cH:32][c:33]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[cH:34]1.[Na+:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:55].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([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)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([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)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([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)[cH:131][cH:132]1>>[c:2]1(-[c:33]2[cH:32][cH:31][c:27]([C:28](=[O:29])[NH2:30])[c:26]([F:25])[cH:34]2)[cH:3][cH:4][c:5]([NH:11][c:12]2[cH:13][cH:14][c:15]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:16][cH:17]2)[c:6]2[n:7]1[n:8][cH:9][n:10]2Participants
8
Reactant 7
HCID 923Sodium ion
HCID 962Water
HCID 6228Dimethylformamide
HCID 45749132-Methylpropan-2-olate
HCID 57664356(5-Chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
HCID 590230642-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-6755973be14a4078accf1537d856a4c0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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