Potassium Cation → 2-[3-Methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazin-1-yl]benzonitrile
Reaction equation
[Br:22][c:23]1[c:24]([C:25]#[N:26])[cH:27][cH:28][cH:29][cH:30]1.[CH3:1][n:2]1[c:3]([N:15]2[CH:16]([CH3:21])[CH2:17][NH:18][CH2:19][CH2:20]2)[n:4][c:5](-[c:9]2[n:10][cH:11][n:12][cH:13][cH:14]2)[cH:6][c:7]1=[O:8].[CH3:68][O:69][CH2:70][CH2:71][O:72][CH3:73].[CH:31]1([P:32]([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2-[c:45]2[c:46]([O:47][CH3:48])[cH:49][cH:50][cH:51][c:52]2[O:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1.[K+:65].[K+:66].[K+:67].[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[P:60]([O-:61])([O-:62])([O-:63])=[O:64].[Pd:74].[Pd:75]>>[CH3:1][n:2]1[c:3]([N:15]2[CH:16]([CH3:21])[CH2:17][N:18]([c:23]3[c:24]([C:25]#[N:26])[cH:27][cH:28][cH:29][cH:30]3)[CH2:19][CH2:20]2)[n:4][c:5](-[c:9]2[n:10][cH:11][n:12][cH:13][cH:14]2)[cH:6][c:7]1=[O:8]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-4c66d6ea17de4223a681aa0eec689489
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…