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Citric Acid → 4-(2-Chloro-4-trifluoromethyl-phenyl)-4-cyano-but-3-enoic acid methyl ester

HRID 824037
노트
인쇄 미리보기

반응식

HRID 824037 반응식
[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:7][O:8][CH:9]=[CH:10][C:11](=[O:12])[O:13][CH3:14].[Cl:15][c:16]1[c:17]([CH2:26][C:27]#[N:28])[cH:18][cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]1.[Na+:6].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH:29][C:30]([CH2:31][C:32]([C:33](=[O:34])[OH:35])([CH2:36][C:37](=[O:38])[OH:39])[OH:40])=[O:41]>>[CH:9]([CH2:10][C:11](=[O:12])[O:13][CH3:14])=[C:26]([c:17]1[c:16]([Cl:15])[cH:21][c:20]([C:22]([F:23])([F:24])[F:25])[cH:19][cH:18]1)[C:27]#[N:28]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 311Citric AcidHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 2724617Methyl 3-methoxyprop-2-enoateHCID 45749132-Methylpropan-2-olateHCID 219888322-Chloro-4-(trifluoromethyl)phenylacetonitrile

생성물 1

HCID 692570734-(2-Chloro-4-trifluoromethyl-phenyl)-4-cyano-but-3-enoic acid methyl ester

출처 및 근거

ORD 기록
ord-4a3e319a4fea48dcaa394ba4ade1fed7
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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