Hydrochloric Acid → 4-(2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-8-(3-methoxy-1-(methylsulfonyl)piperidin-3-yl)-9-methyl-9H-purin-6-yl)morpholine

HRID 695446Notes

Reaction equation

HRID 695446 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:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[c:13]3[n:14][c:15]([C:20]4([O:26][CH3:27])[CH2:21][NH:22][CH2:23][CH2:24][CH2:25]4)[n:16]([CH3:19])[c:17]3[n:18]1)[cH:34][cH:35][cH:36][cH:37]2.[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:47][S:48]([Cl:49])(=[O:50])=[O:51].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[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:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[c:13]3[n:14][c:15]([C:20]4([O:26][CH3:27])[CH2:21][N:22]([S:48]([CH3:47])(=[O:50])=[O:51])[CH2:23][CH2:24][CH2:25]4)[n:16]([CH3:19])[c:17]3[n:18]1)[cH:34][cH:35][cH:36][cH:37]2

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 8028TetrahydrofuranHCID 31297Methanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 596055294-[2-(2-Ethylbenzimidazol-1-yl)-8-(3-methoxypiperidin-3-yl)-9-methylpurin-6-yl]morpholine

Product 1

HCID 596059394-(2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-8-(3-methoxy-1-(methylsulfonyl)piperidin-3-yl)-9-methyl-9H-purin-6-yl)morpholine

Sources & evidence

ORD record
ord-37cf015647004c27838f1f4aaa767d43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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