Pyridine → Methanesulfonic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-ylmethyl ester

HRID 140953Notes

Reaction equation

HRID 140953 reaction equation
[CH3:28][S:29]([Cl:30])(=[O:31])=[O:32].[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.[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[O: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:29]([CH3:28])(=[O:31])=[O:32]

Participants

4

Reactant 3

HCID 1049PyridineHCID 31297Methanesulfonyl chlorideHCID 119956518-(4-Hydroxymethyl-bicyclo[2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione

Product 1

HCID 86591751Methanesulfonic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-ylmethyl ester

Sources & evidence

ORD record
ord-681fc6018c3f4e8b92d42252403e1a09
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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