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Diethyl Malonate → Ethyl 2-(3-chloro-2,4-difluorobenzoyl)-3-ethoxy-acrylate

HRID 314532
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HRID 314532 반응식
[C:13]([O:14][CH2:15][CH3:16])(=[O:17])[CH2:18][C:19]([O:20][CH2:21][CH3:22])=[O:23].[C:64]([O:65][C:66](=[O:67])[CH3:68])(=[O:69])[CH3:70].[CH:71]([OH:72])([OH:73])[O:74][CH2:75][CH3:76].[Cl:1][c:2]1[c:3]([F:4])[c:5]([C:10]([Cl:11])=[O:12])[cH:6][cH:7][c:8]1[F:9].[Cl:24][c:25]1[c:26]([F:45])[c:27]([C:28](=[O:29])[CH:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:41][cH:42][c:43]1[F:44].[Cl:47][c:48]1[c:49]([F:50])[c:51]([C:56]([CH2:57][C:58]([O:59][CH2:60][CH3:61])=[O:62])=[O:63])[cH:52][cH:53][c:54]1[F:55].[Pb:46]>>[Cl:24][c:25]1[c:26]([F:45])[c:27]([C:28](=[O:29])[C:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])=[CH:36][O:38][CH2:39][CH3:40])[cH:41][cH:42][c:43]1[F:44]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 7761Diethyl MalonateHCID 7918Acetic AnhydrideHCID 27735383-Chloro-2,4-difluorobenzoyl chlorideHCID 5231668OrthoameisensaureathylesterHCID 5352425LeadHCID 22077280Diethyl (3-chloro-2,4-difluorobenzoyl)malonateHCID 54232984Ethyl (3-chloro-2,4-difluoro-benzoyl)-acetate

생성물 1

HCID 54286793Ethyl 2-(3-chloro-2,4-difluorobenzoyl)-3-ethoxy-acrylate

출처 및 근거

ORD 기록
ord-e9ba978bd3c649839bfc26edf7a8197d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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