Sodium ion → 4-(6-((4-(Methylsulfonyl)piperazin-1-yl)methyl)-2-(2-(tetrahydro-2H-pyran-2-yl)-2H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl)morpholine

HRID 1553346Notes

Reaction equation

HRID 1553346 reaction equation
[CH2:87]1[O:88][CH2:89][CH2:90][O:91][CH2:92]1.[Cl:36][c:37]1[n:38][c:39]([N:40]2[CH2:41][CH2:42][O:43][CH2:44][CH2:45]2)[c:46]2[cH:47][c:48]([CH2:49][N:50]3[CH2:51][CH2:52][N:53]([S:54]([CH3:55])(=[O:56])=[O:57])[CH2:58][CH2:59]3)[s:60][c:61]2[n:62]1.[Na+:93].[Na+:94].[O-:95][C:96](=[O:97])[O-:98].[O:63]1[CH:64]([n:69]2[cH:70][c:71]3[c:72]([cH:73][cH:74][cH:75][c:76]3[B:77]3[O:78][C:79]([CH3:80])([CH3:81])[C:82]([CH3:83])([CH3:84])[O:85]3)[n:86]2)[CH2:65][CH2:66][CH2:67][CH2:68]1.[nH:1]1[n:2][cH:3][c:4]2[c:5](-[c:10]3[n:11][c:12]([N:30]4[CH2:31][CH2:32][O:33][CH2:34][CH2:35]4)[c:13]4[c:14]([n:15]3)[s:16][c:17]([CH2:19][N:20]3[CH2:21][CH2:22][N:23]([S:26](=[O:27])(=[O:28])[CH3:29])[CH2:24][CH2:25]3)[cH:18]4)[cH:6][cH:7][cH:8][c:9]12>>[n:1]1[n:2]([CH:64]2[O:63][CH2:68][CH2:67][CH2:66][CH2:65]2)[cH:3][c:4]2[c:5](-[c:10]3[n:11][c:12]([N:30]4[CH2:31][CH2:32][O:33][CH2:34][CH2:35]4)[c:13]4[c:14]([n:15]3)[s:16][c:17]([CH2:19][N:20]3[CH2:21][CH2:22][N:23]([S:26](=[O:27])(=[O:28])[CH3:29])[CH2:24][CH2:25]3)[cH:18]4)[cH:6][cH:7][cH:8][c:9]12

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 252532304-(2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[2,3-d]pyrimidin-4-yl)morpholineHCID 252688432-(Tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazoleHCID 568339462-Chloro-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-morpholinothieno[2,3-d]pyrimidine

Product 1

HCID 252691944-(6-((4-(Methylsulfonyl)piperazin-1-yl)methyl)-2-(2-(tetrahydro-2H-pyran-2-yl)-2H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl)morpholine

Sources & evidence

ORD record
ord-bfa60ccd32ad4b88b5614bcea069bbd9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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