Dimethylamine → N2-(4-{4-amino-1-[2-(dimethylamino)ethyl]-1H-pyrazolo [3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-2-indolecarboxamide

HRID 665287Notes

Reaction equation

HRID 665287 reaction equation
[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][NH:40][CH3:41].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[I-:50].[Na+:49].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[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:40]([CH3:39])[CH3:41]

Participants

7

Reactant 6

HCID 674DimethylamineHCID 923Sodium ionHCID 6228DimethylformamideHCID 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 22347002N2-(4-{4-amino-1-[2-(dimethylamino)ethyl]-1H-pyrazolo [3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-2-indolecarboxamide

Sources & evidence

ORD record
ord-70ed9f0426684c8e9208c07318f6a9f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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