Acetic Acid → 4-[1-(Ethoxycarbonylmethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester

HRID 667501Notes

Reaction equation

HRID 667501 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]([CH3:38])[c:18](=[O:37])[n:19]([CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[c:20](=[O:30])[c:21]3[n:22]2[CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:12][CH2:13]1.[CH3:39][C:40](=[O:41])[OH:42].[OH-:43].[OH-:45].[Pd+2:44]>>[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]([CH3:38])[c:18](=[O:37])[n:19]([CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[c:20](=[O:30])[c:21]3[nH:22]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 961Hydroxide2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 235369644-[7-(Benzyl)-1-(ethoxycarbonylmethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 235369654-[1-(Ethoxycarbonylmethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-a16ca6cd4dab4efc8294e45a1152ad5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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