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Methyl cyanoacetate → Methyl 2-cyano-4-(2-fluorophenyl)-3-methyl-4-oxobutanoate

HRID 1566056
노트
인쇄 미리보기

반응식

HRID 1566056 반응식
[Br:17][CH:18]([C:19](=[O:20])[c:21]1[c:22]([F:27])[cH:23][cH:24][cH:25][cH:26]1)[CH3:28].[CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6]#[N:7].[CH:8]([N:9]([CH:10]([CH3:11])[CH3:12])[CH2:13][CH3:14])([CH3:15])[CH3:16].[O:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1>>[CH3:1][O:2][C:3](=[O:4])[CH:5]([C:6]#[N:7])[CH:18]([C:19](=[O:20])[c:21]1[c:22]([F:27])[cH:23][cH:24][cH:25][cH:26]1)[CH3:28]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 7747Methyl cyanoacetateHCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 221113342-Bromo-1-(2-fluorophenyl)propan-1-one

생성물 1

HCID 66924807Methyl 2-cyano-4-(2-fluorophenyl)-3-methyl-4-oxobutanoate

출처 및 근거

ORD 기록
ord-c8df92e8bf784d93aed555cd71663959
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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