Sodium ion → 5-(6-((Methyl(1-methylpiperidin-4-yl)amino)methyl)-4-morpholinothieno[2,3-d]pyrimidin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine

HRID 1229089Notes

Reaction equation

HRID 1229089 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[CH3:33][C:34]1([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39][B:40]([c:41]2[c:42]([C:48]([F:49])([F:50])[F:51])[n:43][c:44]([NH2:47])[n:45][cH:46]2)[O:52]1.[CH3:53][C:54]#[N:55].[Cl:1][c:2]1[n:3][c:4]([N:21]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[c:5]2[c:6]([n:7]1)[s:8][c:9]([CH2:11][N:12]([CH:13]1[CH2:14][CH2:15][N:16]([CH3:19])[CH2:17][CH2:18]1)[CH3:20])[cH:10]2.[Na+:31].[Na+:32].[OH2:56]>>[c:2]1(-[c:41]2[c:42]([C:48]([F:49])([F:50])[F:51])[n:43][c:44]([NH2:47])[n:45][cH:46]2)[n:3][c:4]([N:21]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[c:5]2[c:6]([n:7]1)[s:8][c:9]([CH2:11][N:12]([CH:13]1[CH2:14][CH2:15][N:16]([CH3:19])[CH2:17][CH2:18]1)[CH3:20])[cH:10]2

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 574164395-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amineHCID 86623517N-((2-chloro-4-morpholinothieno[2,3-d]pyrimidin-6-yl)methyl)-N,1-dimethylpiperidin-4-amine

Product 1

HCID 582338545-(6-((Methyl(1-methylpiperidin-4-yl)amino)methyl)-4-morpholinothieno[2,3-d]pyrimidin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine

Sources & evidence

ORD record
ord-92485f2b013b458a8c74f9bba0cdcd91
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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