Acetic Acid → 5-(4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-2,4-difluorobenzenamine

반응식

[CH3:23][C:24](=[O:25])[OH:26].[Cl:1][c:2]1[c:3](-[c:12]2[c:13]([F:22])[cH:14][c:15]([F:21])[c:16]([N+:18]([O-:19])=[O:20])[cH:17]2)[n:4][n:5]([CH3:11])[c:6]1[C:7]([F:8])([F:9])[F:10].[Fe:27]>>[Cl:1][c:2]1[c:3](-[c:12]2[c:13]([F:22])[cH:14][c:15]([F:21])[c:16]([NH2:18])[cH:17]2)[n:4][n:5]([CH3:11])[c:6]1[C:7]([F:8])([F:9])[F:10]

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 23925Iron

HCID 152785734-chloro-3-(2,4-difluoro-5-nitrophenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole

생성물 1

HCID 194367565-(4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-2,4-difluorobenzenamine

출처 및 근거

ORD 기록: ord-3568d8914fa64d67a2139183dfccf634
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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