Hydrochloric Acid → 3-(2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)-1-(methylsulfonyl)piperidin-3-ol

HRID 2331172Notes

Reaction equation

HRID 2331172 reaction equation
[CH2:3]([CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1-[c:10]1[n:11][c:12]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[c:13]3[n:14][c:15]([C:20]4([OH:26])[CH2:21][NH:22][CH2:23][CH2:24][CH2:25]4)[n:16]([CH3:19])[c:17]3[n:18]1)[cH:33][cH:34][cH:35][cH:36]2.[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:46][S:47]([Cl:48])(=[O:49])=[O:50].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[ClH:1].[ClH:2]>>[CH2:3]([CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1-[c:10]1[n:11][c:12]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[c:13]3[n:14][c:15]([C:20]4([OH:26])[CH2:21][N:22]([S:47]([CH3:46])(=[O:49])=[O:50])[CH2:23][CH2:24][CH2:25]4)[n:16]([CH3:19])[c:17]3[n:18]1)[cH:33][cH:34][cH:35][cH:36]2

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 8028TetrahydrofuranHCID 31297Methanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 596052083-[2-(2-Ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]piperidin-3-ol

Product 1

HCID 596056373-(2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)-1-(methylsulfonyl)piperidin-3-ol

Sources & evidence

ORD record
ord-25f87d663f3d4b54b40cbae24eda47f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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