Water → Ethyl 6-methyl-2,3,4,5-tetrafluorobenzoylacetate

HRID 209264

반응식

HRID 209264 반응식
[CH3:1][c:2]1[c:3]([F:24])[c:4]([F:23])[c:5]([F:22])[c:6]([F:21])[c:7]1[C:8](=[O:9])[CH:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[C:16]([O:17][CH2:18][CH3:19])=[O:20].[OH2:36].[c:25]1([CH3:26])[cH:27][cH:28][c:29]([S:30]([OH:31])(=[O:32])=[O:33])[cH:34][cH:35]1>>[CH3:1][c:2]1[c:3]([F:24])[c:4]([F:23])[c:5]([F:22])[c:6]([F:21])[c:7]1[C:8](=[O:9])[CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15]

참가 물질

4

반응물 3

HCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 53783746Diethyl 6-methyl-2,3,4,5-tetrafluorobenzoylmalonate

생성물 1

HCID 14774100Ethyl 6-methyl-2,3,4,5-tetrafluorobenzoylacetate

출처 및 근거

ORD 기록
ord-7ba8307ad0ab4c13aa2ed55e8ec1c9cb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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