Water → Ethyl (3,4,6-Trifluoro-2-methylbenzoyl)acetate

HRID 664080

반응식

HRID 664080 반응식
[CH3:1][c:2]1[c:3]([C:4](=[O:5])[CH:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[C:12]([O:13][CH2:14][CH3:15])=[O:16])[c:17]([F:23])[cH:18][c:19]([F:22])[c:20]1[F:21].[OH2:35].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1>>[CH3:1][c:2]1[c:3]([C:4](=[O:5])[CH2:6][C:7](=[O:8])[O:9][CH2:10][CH3:11])[c:17]([F:23])[cH:18][c:19]([F:22])[c:20]1[F:21]

참가 물질

4

반응물 3

HCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 17879412Diethyl 2-methyl-3,4,6-trifluorobenzoylmalonate

생성물 1

HCID 14517129Ethyl (3,4,6-Trifluoro-2-methylbenzoyl)acetate

출처 및 근거

ORD 기록
ord-80abeef2093e41ea8d20f04c1b61984f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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