Hydrochloric Acid → 1-Methyl-3-[9-methyl-6-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-8-yl]piperidin-3-ol

HRID 167516Notes

Reaction equation

HRID 167516 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:53][C:54]#[N:55].[CH:2]([CH3:3])([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.[CH:37]([I:38])([CH3:39])[CH3:40].[ClH:1].[K+:45].[K+:46].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[CH:2]([CH3:3])([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]([CH3:37])[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

9

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6342AcetonitrileHCID 6362Isopropyl iodideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 596060043-(2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)piperidin-3-ol

Product 1

HCID 674923641-Methyl-3-[9-methyl-6-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)purin-8-yl]piperidin-3-ol

Sources & evidence

ORD record
ord-9e54db31e3864680a2e00b9d7d4a006b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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