Caffeine → HCID 225229, compound

HRID 2418850Notes

Reaction equation

HRID 2418850 reaction equation
Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)C1CCCCC1>CS(C)=O.N.O.O=S(=O)(O)OOS(=O)(=O)O>Cn1c(=O)c2c(nc(C3CCCCC3)n2C)n(C)c1=O

Participants

6

Reactant 2

HCID 2519CaffeineHCID 7413Cyclohexanecarboxylic acid

Product 1

HCID 225229HCID 225229, compoundYield 28%

Reagents, catalysts & solvents 3

HCID 21864320CID 21864320ReagentHCID 679Dimethyl SulfoxideSolventHCID 962WaterSolvent

Conditions

Temperature
40 °C

Sources & evidence

ORD record
ord-033e08aa68b44b43a0ff24b3848fef33
Source dataset
Minisci dataset from Roche

Reaction notes

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