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Sodium Ion → 2-(3-Hydroxy-1,1-dimethyl-3-trifluoromethylhex-5-ynyl)benzoic acid

HRID 103025
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인쇄 미리보기

반응식

HRID 103025 반응식
[CH2:27]1[CH2:30][CH2:29][CH2:28][O:31]1.[CH3:1][C:2]1([CH3:21])[c:3]2[c:4]([cH:17][cH:18][cH:19][cH:20]2)[CH:5]([OH:16])[O:6][C:7]([C:9]([F:10])([F:11])[F:12])([CH2:13][C:14]#[CH:15])[CH2:8]1.[CH3:22][C:23](=[CH:24][CH3:25])[CH3:26].[Cl+:32]([O-:33])[O-:34].[Na+:35].[Na+:41].[Na+:42].[OH2:43].[P:36]([O-:37])([O-:38])([OH:39])=[O:40]>>[CH3:1][C:2]([c:3]1[c:4]([C:5](=[O:16])[OH:31])[cH:17][cH:18][cH:19][cH:20]1)([CH2:8][C:7]([OH:6])([C:9]([F:10])([F:11])[F:12])[CH2:13][C:14]#[CH:15])[CH3:21]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium Ion3회HCID 962WaterHCID 8028TetrahydrofuranHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 3681305Hydrogen phosphateHCID 580261785,5-Dimethyl-3-prop-2-ynyl-3-trifluoromethyl-1,3,4,5-tetrahydrobenzo[c]oxepin-1-ol

생성물 1

출처 및 근거

ORD 기록
ord-13cfc5fe97a64598aedad25324f639d0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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이 페이지에서참가 물질출처 및 근거반응 노트
HCID 58026146
2-(3-Hydroxy-1,1-dimethyl-3-trifluoromethylhex-5-ynyl)benzoic acid