HCID 178437212, compound → HCID 178480257, compound

HRID 660163Notes

Reaction equation

HRID 660163 reaction equation
[C:1]1([CH2:7][CH2:8][CH2:9][C:10]#[C:11][C:12]2[C:13]([C:17]3[CH:18]=[N:19][CH:20]=[CH:21][CH:22]=3)=[N:14][NH:15][CH:16]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:23]SC1C(C2C=NC=CC=2)=NNC=1>>[C:1]1([CH2:7][CH2:8][CH2:9][C:10]#[C:11][C:12]2[C:13]([C:17]3[CH2:18][N:19]([CH3:23])[CH2:20][CH2:21][CH:22]=3)=[N:14][NH:15][CH:16]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1

Participants

3

Reactant 2

HCID 178437212HCID 178437212, compoundHCID 178503312HCID 178503312, compound

Product 1

HCID 178480257HCID 178480257, compoundYield 95%

Procedure

Compound 44D was converted to compound 45D, using the methodology described for the conversion of 21A to 22A (see Scheme 3). Yield: 95% (amorphous). LCMS (method A); Rt: 1.99 min, ([M+H]+=306). 1H-NMR (400 MHz, CDCl3): δ 7.58 (s, 1H), 7.31-7.18 (m, 5H), 6.79-6.73 (bs, 1H), 3.43-3.40 (m, 2H), 2.78 (t, J=7 Hz, 2H), 2.60 (bt, J=7 Hz, 2H), 2.45-2.37 (m, 7H), 1.95-1.87 (m, 2H).

Sources & evidence

ORD record
ord-cd514fff8fe84643962ea23ee3e657b7
Source dataset
uspto-grants-2011_12
Patent number
US08084473B2

Reaction notes

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