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Hydrochloric Acid → 5-(4-Chloro-5-difluoromethoxy-1-methyl-1H-pyrazol-3-yl)-2,4-dichlorobenzoic acid

HRID 2137752
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반응식

HRID 2137752 반응식
[CH3:38][C:39]#[N:40].[Cl+:32]([O-:33])[O-:34].[Cl:9][c:10]1[c:11](-[c:20]2[c:21]([Cl:29])[cH:22][c:23]([Cl:28])[c:24]([CH:25]=[O:26])[cH:27]2)[n:12][n:13]([CH3:19])[c:14]1[O:15][CH:16]([F:17])[F:18].[ClH:36].[Na+:35].[Na+:8].[OH2:1].[OH2:2].[OH2:37].[OH:30][OH:31].[P:3]([O-:4])([OH:5])([OH:6])=[O:7]>>[Cl:9][c:10]1[c:11](-[c:20]2[c:21]([Cl:29])[cH:22][c:23]([Cl:28])[c:24]([C:25](=[O:26])[OH:33])[cH:27]2)[n:12][n:13]([CH3:19])[c:14]1[O:15][CH:16]([F:17])[F:18]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 784Hydrogen PeroxideHCID 923Sodium Ion2회HCID 962Water3회HCID 1003DihydrogenphosphateHCID 6342AcetonitrileHCID 197148ChloriteHCID 156721724-Chloro-3-(2,4-dichloro-5-formylphenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole

출처 및 근거

ORD 기록
ord-c8d32625944e426c88bb0dc4be3dd2de
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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생성물 1

HCID 150305955-(4-Chloro-5-difluoromethoxy-1-methyl-1H-pyrazol-3-yl)-2,4-dichlorobenzoic acid