Potassium Cation → 2-(3-(2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)-3-methoxypiperidin-1-yl)acetamide

HRID 1122024Notes

Reaction equation

HRID 1122024 reaction equation
[Br:37][CH2:38][C:39](=[O:40])[NH2:41].[CH3:50][C:51]#[N:52].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:8]1-[c:9]1[n:10][c:11]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[c:12]3[n:13][c:14]([C:19]4([O:25][CH3:26])[CH2:20][NH:21][CH2:22][CH2:23][CH2:24]4)[n:15]([CH3:18])[c:16]3[n:17]1)[cH:33][cH:34][cH:35][cH:36]2.[I-:43].[K+:44].[K+:45].[Na+:42].[O-:46][C:47]([O-:48])=[O:49]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:8]1-[c:9]1[n:10][c:11]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[c:12]3[n:13][c:14]([C:19]4([O:25][CH3:26])[CH2:20][N:21]([CH2:38][C:39](=[O:40])[NH2:41])[CH2:22][CH2:23][CH2:24]4)[n:15]([CH3:18])[c:16]3[n:17]1)[cH:33][cH:34][cH:35][cH:36]2

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 696322-BromoacetamideHCID 596052822-(2-Isopropylbenzoimidazol-1-yl)-8-(3-methoxypiperidin-3-yl)-9-methyl-6-morpholin-4-yl-9H-purine

Product 1

HCID 596057072-(3-(2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)-3-methoxypiperidin-1-yl)acetamide

Sources & evidence

ORD record
ord-cdee00d2af104cef8c7fae6ecd9c9583
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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