Sodium ion → N2-{4-[4-amino-1-(2-morpholinoethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}-1-methyl-1H-2-indolecarboxamide

HRID 136572Notes

Reaction equation

HRID 136572 reaction equation
[CH2:48]1[CH2:49][O:50][CH2:51][CH2:52][NH:53]1.[CH3:1][S:2]([O:3][CH2:6][CH2:7][n:8]1[n:9][c:10](-[c:18]2[cH:19][c:20]([O:37][CH3:38])[c:21]([NH:24][C:25](=[O:26])[c:27]3[n:28]([CH3:36])[c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]4[cH:35]3)[cH:22][cH:23]2)[c:11]2[c:12]1[n:13][cH:14][n:15][c:16]2[NH2:17])(=[O:4])=[O:5].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[I-:47].[Na+:46].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[CH2:6]([CH2:7][n:8]1[n:9][c:10](-[c:18]2[cH:19][c:20]([O:37][CH3:38])[c:21]([NH:24][C:25](=[O:26])[c:27]3[n:28]([CH3:36])[c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]4[cH:35]3)[cH:22][cH:23]2)[c:11]2[c:12]1[n:13][cH:14][n:15][c:16]2[NH2:17])[N:53]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 8083MorpholineHCID 8471TriethylamineHCID 30165Iodide IonHCID 223468312-[4-amino-3-(3-methoxy-4-{[(1-methyl-1H-2-indolyl)carbonyl]amino}phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl methanesulfonate

Product 1

HCID 22347049N2-{4-[4-amino-1-(2-morpholinoethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}-1-methyl-1H-2-indolecarboxamide

Sources & evidence

ORD record
ord-b78f15655f4d425099374d85acaabe5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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