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Ethanol → 5-(3,5-bistrifluoromethylpyrazol-1-ylmethyl)-2-(3-chloropyridin-2-yl)-2H-pyrazole-3-carboxylic acid

HRID 193677
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인쇄 미리보기

반응식

HRID 193677 반응식
[CH3:33][CH2:34][OH:35].[F:1][C:2]([c:3]1[n:4][n:5]([CH2:12][c:13]2[cH:14][c:15]([C:25](=[O:26])[O:27][CH3:28])[n:16](-[c:18]3[n:19][cH:20][cH:21][cH:22][c:23]3[Cl:24])[n:17]2)[c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1)([F:29])[F:30].[Na+:32].[OH-:31].[OH2:36]>>[F:1][C:2]([c:3]1[n:4][n:5]([CH2:12][c:13]2[cH:14][c:15]([C:25](=[O:26])[OH:27])[n:16](-[c:18]3[n:19][cH:20][cH:21][cH:22][c:23]3[Cl:24])[n:17]2)[c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1)([F:29])[F:30]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 86638528methyl 5-(3,5-bistrifluoromethylpyrazol-1-ylmethyl)-2-(3-chloropyridin-2-yl)-2H-pyrazole-3-carboxylate

생성물 1

HCID 866385275-(3,5-bistrifluoromethylpyrazol-1-ylmethyl)-2-(3-chloropyridin-2-yl)-2H-pyrazole-3-carboxylic acid

출처 및 근거

ORD 기록
ord-43d8134dfc4940189abe94fdb511c2fc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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