Dichloromethane → Toluene-4-sulfonic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo(2.2.2]oct-1-yl ester

HRID 315387Notes

Reaction equation

HRID 315387 reaction equation
[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[Cl:45][CH2:46][Cl:47].[OH:1][C:2]12[CH2:3][CH2:4][C:5]([c:10]3[n:11][c:12]4[n:13]([CH2:24][CH2:25][CH3:26])[c:14](=[O:23])[n:15]([CH2:20][CH2:21][CH3:22])[c:16](=[O:19])[c:17]4[nH:18]3)([CH2:6][CH2:7]1)[CH2:8][CH2:9]2.[c:34]1([CH3:44])[cH:35][cH:36][c:37]([S:40](=[O:41])(=[O:42])[Cl:43])[cH:38][cH:39]1>>[O:1]([C:2]12[CH2:3][CH2:4][C:5]([c:10]3[n:11][c:12]4[n:13]([CH2:24][CH2:25][CH3:26])[c:14](=[O:23])[n:15]([CH2:20][CH2:21][CH3:22])[c:16](=[O:19])[c:17]4[nH:18]3)([CH2:6][CH2:7]1)[CH2:8][CH2:9]2)[S:40]([c:37]1[cH:36][cH:35][c:34]([CH3:44])[cH:39][cH:38]1)(=[O:41])=[O:42]

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 73974-Toluenesulfonyl chlorideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 99507768-(4-hydroxybicyclo[2.2.2]octan-1-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione

Product 1

HCID 86591740Toluene-4-sulfonic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo(2.2.2]oct-1-yl ester

Sources & evidence

ORD record
ord-5c2cf352054849f58d3a4b9399e558cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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