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Ethanol → 3-[4-(6-Methylsulfanyl-2-oxo-3-propyl-3,7-dihydro-2H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-propionic acid methyl ester

HRID 1234644
Notes
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Reaction equation

HRID 1234644 reaction equation
[CH3:1][O:2][C:3]([CH2:4][CH2:5][C:6]12[CH2:7][CH2:8][C:9]([c:14]3[n:15][c:16]4[n:17]([CH2:25][CH2:26][CH3:27])[c:18](=[O:24])[nH:19][c:20](=[S:23])[c:21]4[nH:22]3)([CH2:10][CH2:11]1)[CH2:12][CH2:13]2)=[O:28].[CH3:31][I:32].[CH3:33][CH2:34][OH:35].[Na+:30].[OH-:29].[OH2:36]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][C:6]12[CH2:7][CH2:8][C:9]([c:14]3[n:15][c:16]4[n:17]([CH2:25][CH2:26][CH3:27])[c:18](=[O:24])[n:19][c:20]([S:23][CH3:31])[c:21]4[nH:22]3)([CH2:10][CH2:11]1)[CH2:12][CH2:13]2)=[O:28]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 6328Methyl iodideHCID 865856363-[4-(2-Oxo-3-propyl-6-thioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-propionic acid methyl ester

Product 1

HCID 11994419
3-[4-(6-Methylsulfanyl-2-oxo-3-propyl-3,7-dihydro-2H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-propionic acid methyl ester

Sources & evidence

ORD record
ord-20abc258896d4f4cb7dd9b8165c5b87a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes