Acetic Acid → 4-chloro-3-(4-amino-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole

반응식

[CH3:24][C:25](=[O:26])[OH:27].[Cl:1][c:2]1[c:3](-[c:12]2[c:13]([F:23])[cH:14][c:15]([N+:20]([O-:21])=[O:22])[c:16]([O:18][CH3:19])[cH:17]2)[n:4][n:5]([CH3:11])[c:6]1[C:7]([F:8])([F:9])[F:10].[Fe:28]>>[Cl:1][c:2]1[c:3](-[c:12]2[c:13]([F:23])[cH:14][c:15]([NH2:20])[c:16]([O:18][CH3:19])[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 152785724-chloro-3-(2-fluoro-5-methoxy-4-nitrophenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole

생성물 1

HCID 194367624-chloro-3-(4-amino-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole

출처 및 근거

ORD 기록: ord-386ab3df45cc42169edb762451d4207b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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