Piperidine → HCID 178431711, 화합물

반응식

C1CCNCC1.CC1(C)OC(=O)C(Oc2ccc(Br)cn2)=C1c1ccc(S(C)(=O)=O)cc1>C1CN2CCN1CC2.COCCOC.CS(C)=O.Fc1cc(F)c(-c2ccccn2)[c]([Ir]([c]2cc(F)cc(F)c2-c2ccccn2)[c]2cc(F)cc(F)c2-c2ccccn2)c1.[Cl][Ni][Cl]>CC1(C)OC(=O)C(Oc2ccc(N3CCCCC3)cn2)=C1c1ccc(S(C)(=O)=O)cc1

참가 물질

반응 조건

온도: 55 °C

후처리

additionThe samples was moved from a 1536 well plate into a 384 well plate. The 384 well plate contained 75 microliter of 1% Acetic acid in DMSO solution with 0.003M trimethoxybenzene. The reaction plate was rinsed three times with the same solution to make a total addition volume of ~90 microliters
aliquot25 microliter of quenched reaction mixture was taken
additionTo the 25 microliter aliquot 50 microliter of DMSO was added. If the original reaction concentration was 0.05 M (wrt limiting reagent). This would make a final analytical concentration of 0.36 mM which is in line with typical analytical concentrations from this group.

출처 및 근거

ORD 기록: ord-845702027a464578b202c4ce5a79c3d4
출처 데이터셋: Nano CN PhotoChemistry Informers Library
DOI: 10.1021/acs.accounts.0c00760
원본 링크: 출처 보기

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참가 물질

반응물 2

HCID 8082Piperidine

HCID 99328283-((5-Bromopyridin-2-yl)oxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)furan-2(5H)-one

생성물 1

HCID 178431711HCID 178431711, 화합물수율 3.851%

시약·촉매·용매 4

HCID 9237Dabco촉매

HCID 15773433Dichloronickel;1,2-dimethoxyethane촉매

HCID 178505916Tris[2-(2-pyridinyl)-3,5-difluorophenyl] iridium(III)촉매

HCID 679Dimethyl Sulfoxide용매3회

반응 조건

온도: 55 °C

후처리

additionThe samples was moved from a 1536 well plate into a 384 well plate. The 384 well plate contained 75 microliter of 1% Acetic acid in DMSO solution with 0.003M trimethoxybenzene. The reaction plate was rinsed three times with the same solution to make a total addition volume of ~90 microliters
aliquot25 microliter of quenched reaction mixture was taken
additionTo the 25 microliter aliquot 50 microliter of DMSO was added. If the original reaction concentration was 0.05 M (wrt limiting reagent). This would make a final analytical concentration of 0.36 mM which is in line with typical analytical concentrations from this group.

출처 및 근거

ORD 기록: ord-845702027a464578b202c4ce5a79c3d4
출처 데이터셋: Nano CN PhotoChemistry Informers Library
DOI: 10.1021/acs.accounts.0c00760
원본 링크: 출처 보기

반응 노트

불러오는 중…