Methanol → Methyl 3-oxocyclopent-1-enecarboxylate

HRID 2001547

반응식

HRID 2001547 반응식
Cc1ccc(S(OC(CCC2=O)=C2)(=O)=[O:1])cc1.[CH3:2][OH:3].O=CN1S(=O)(=O)[c:10]([c:6]2[C:4]1=[O:5])[cH:9]c[cH:8][cH:7]2>>[CH3:2][O:3][C:4]([C:6]([CH2:10][CH2:9][C:8]1=[O:1])=[CH:7]1)=[O:5]

참가 물질

8

반응물 3

HCID 887MethanolHCID 546716891,1,3-Trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazole-2-carbaldehydeHCID 86196686(3-Oxocyclopenten-1-yl) 4-methylbenzenesulfonate

생성물 1

HCID 11029917Methyl 3-oxocyclopent-1-enecarboxylate

시약·촉매·용매 4

HCID 81531Diisopropylethylamine시약HCID 178422000HCID 178422000, 화합물촉매HCID 887Methanol용매HCID 117669-Phenylanthracene내부 표준

반응 조건

온도
110 °C

출처 및 근거

ORD 기록
ord-7f1ab03178a247c8885f197a279031be
출처 데이터셋
39k HTE dataset from Pfizer
원본 링크
출처 보기

연결된 노트

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