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Water → Ethyl 2-hydroxy-4-(2-methoxy-3-propan-2-ylphenyl)-4-methyl-2-(trifluoromethyl)pentanoate

HRID 178198
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HRID 178198 반응식
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][C:7]([CH3:8])([CH3:9])[c:10]1[c:11]([O:19][CH3:20])[c:12]([CH:16]([CH3:17])[CH3:18])[cH:13][cH:14][cH:15]1)=[O:21])=[O:22].[CH2:35]([N+:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH3:51].[F-:34].[F:23][C:24]([F:25])([F:26])[Si:27]([CH3:28])([CH3:29])[CH3:30].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH2:31].[OH2:32].[OH2:33].[SiH3:52][O:53][SiH3:54]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][C:7]([CH3:8])([CH3:9])[c:10]1[c:11]([O:19][CH3:20])[c:12]([CH:16]([CH3:17])[CH3:18])[cH:13][cH:14][cH:15]1)([OH:21])[C:24]([F:23])([F:25])[F:26])=[O:22]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 962Water3회HCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 123318DisiloxaneHCID 552549(Trifluoromethyl)trimethylsilaneHCID 17989132Ethyl-4-(3-isopropyl-2-methoxyphenyl)-4-methyl-2-oxo-pentanoate

생성물 1

HCID 17989272Ethyl 2-hydroxy-4-(2-methoxy-3-propan-2-ylphenyl)-4-methyl-2-(trifluoromethyl)pentanoate

출처 및 근거

ORD 기록
ord-b9973ae9eeac45f19dc3933477b0967b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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