Sodium ion → 1-{3-[(4-{[5-Chloro-7-(pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]amino}-6-methoxyquinazolin-7-yl)oxy]propyl}-4-methylpiperazin-2-one
Reaction equation
[CH3:45][Si:46]([N-:47][Si:48]([CH3:49])([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][CH2:17][N:18]3[C:19](=[O:25])[CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[c:9]([O:12][CH3:13])[cH:10][c:11]12.[Cl:26][c:27]1[c:28]([NH2:44])[c:29]2[c:30]([c:34]([C:36]#[C:37][c:38]3[n:39][cH:40][cH:41][cH:42][cH:43]3)[cH:35]1)[O:31][CH2:32][O:33]2.[Na+:54].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59]>>[c:2]1([NH:44][c:28]2[c:27]([Cl:26])[cH:35][c:34]([C:36]#[C:37][c:38]3[n:39][cH:40][cH:41][cH:42][cH:43]3)[c:30]3[c:29]2[O:33][CH2:32][O:31]3)[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][CH2:17][N:18]3[C:19](=[O:25])[CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[c:9]([O:12][CH3:13])[cH:10][c:11]12Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-70b5c1f03b864b829c90556fc65b2dfa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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