Sodium ion → 4-(4-methylpiperazin-1-yl)-6-[3-methyl-7-(1H-pyrazol-3-yl)-3,4-dihydroisoquinolin-2(1H)-yl]pyrimidin-2-amine
Reaction equation
[Br:9][c:10]1[cH:11][cH:12][c:13]2[c:18]([cH:19]1)[CH2:17][N:16]([c:20]1[n:21][c:22]([NH2:33])[n:23][c:24]([N:26]3[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]3)[cH:25]1)[CH:15]([CH3:34])[CH2:14]2.[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[Cl:50][Pd:51]([Cl:52])([PH:53]([C:54]([CH3:55])([CH3:56])[CH3:57])([C:58]([CH3:59])([CH3:60])[CH3:61])[c:62]1[cH:63][cH:64][c:65]([N:66]([CH3:67])[CH3:68])[cH:69][cH:70]1)[PH:71]([c:72]1[cH:73][cH:74][c:75]([N:76]([CH3:77])[CH3:78])[cH:79][cH:80]1)([C:81]([CH3:82])([CH3:83])[CH3:84])[C:85]([CH3:86])([CH3:87])[CH3:88].[N:41]#[N:42].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[OH2:49].[nH:1]1[n:2][c:3]([B:6]([OH:7])[OH:8])[cH:4][cH:5]1>>[nH:1]1[n:2][c:3](-[c:10]2[cH:11][cH:12][c:13]3[c:18]([cH:19]2)[CH2:17][N:16]([c:20]2[n:21][c:22]([NH2:33])[n:23][c:24]([N:26]4[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]4)[cH:25]2)[CH:15]([CH3:34])[CH2:14]3)[cH:4][cH:5]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-cdb9e611dc0b45cbb3238eaa8bf81d3b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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