HCID 178437213, compound → HCID 178480258, compound

HRID 1027538Notes

Reaction equation

HRID 1027538 reaction equation
[CH: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)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[CH3:23]SC1C(C2C=NC=CC=2)=NNC=1>>[CH: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)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1

Participants

3

Reactant 2

HCID 178437213HCID 178437213, compoundHCID 178503312HCID 178503312, compound

Product 1

HCID 178480258HCID 178480258, compoundYield 90%

Procedure

Compound 44E was converted to compound 45E, using the methodology described for the conversion of 21A to 22A (see Scheme 3). Yield: 90% (amorphous). LCMS (method A); Rt: 2.28 min, ([M+H]+=312). 1H-NMR (400 MHz, CDCl3): δ 7.57 (s, 1H), 6.76-6.71 (bs, 1H), 3.41-3.37 (m, 2H), 2.59 (bt, J=7 Hz, 2H), 2.45-2.35 (m, 7H), 1.75-1.55 (m, 6H), 1.35-1.10 (m, 7H), 0.94-0.8 (m, 2H).

Sources & evidence

ORD record
ord-8399d8ca14404614aa60803e7e42852b
Source dataset
uspto-grants-2014_05
Patent number
US08735388B2

Reaction notes

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