Methanol → 4-[1-(2,2-Dimethylpropionyloxymethyl)-2,6-dioxo-7-(2-vinylphenyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester

HRID 1573683Notes

Reaction equation

HRID 1573683 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]3[n:17]([CH2:41][O:42][C:43](=[O:44])[C:45]([CH3:46])([CH3:47])[CH3:48])[c:18](=[O:40])[n:19]([CH2:32][O:33][C:34]([C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[c:20](=[O:31])[c:21]3[n:22]2-[c:23]2[c:24]([CH:29]=[CH2:30])[cH:25][cH:26][cH:27][cH:28]2)[CH2:12][CH2:13]1.[CH3:56][OH:57].[CH:58]([Cl:59])([Cl:60])[Cl:61].[H-:49].[Na+:50].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]3[nH:17][c:18](=[O:40])[n:19]([CH2:32][O:33][C:34]([C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[c:20](=[O:31])[c:21]3[n:22]2-[c:23]2[c:24]([CH:29]=[CH2:30])[cH:25][cH:26][cH:27][cH:28]2)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 887MethanolHCID 923Sodium ionHCID 6212ChloroformHCID 8028TetrahydrofuranHCID 166653HydrideHCID 23081948HCID 23081948, compound

Product 1

HCID 235369354-[1-(2,2-Dimethylpropionyloxymethyl)-2,6-dioxo-7-(2-vinylphenyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-cbc10e7a73cd4459aa1a117d672292ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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