Hydrochloric Acid → 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carbaldehyde

HRID 1132088Notes

Reaction equation

HRID 1132088 reaction equation
[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:46][S:47](=[O:48])[CH3:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[ClH:45].[OH:1][CH2:2][C:3]12[CH2:4][CH2:5][C:6]([c:11]3[n:12][c:13]4[n:14]([CH2:25][CH2:26][CH3:27])[c:15](=[O:24])[n:16]([CH2:21][CH2:22][CH3:23])[c:17](=[O:20])[c:18]4[nH:19]3)([CH2:7][CH2:8]1)[CH2:9][CH2:10]2.[S:41](=[O:42])(=[O:43])=[O:44].[n:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[O:1]=[CH:2][C:3]12[CH2:4][CH2:5][C:6]([c:11]3[n:12][c:13]4[n:14]([CH2:25][CH2:26][CH3:27])[c:15](=[O:24])[n:16]([CH2:21][CH2:22][CH3:23])[c:17](=[O:20])[c:18]4[nH:19]3)([CH2:7][CH2:8]1)[CH2:9][CH2:10]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 1049PyridineHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 24682Sulfur trioxideHCID 119956518-(4-Hydroxymethyl-bicyclo[2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione

Product 1

HCID 99294054-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carbaldehyde

Sources & evidence

ORD record
ord-db4bc62f9eaa4994a8dbc017f53eb174
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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