Chloride → 1-Methyl-3-(2-fluoro-4-chloro-5-methoxyphenyl)-4-chloro-5-trifluoromethyl-1H-pyrazole

Reaction equation

[CH3:30][C:31]#[N:32].[Cl-:22].[Cl:1][c:2]1[c:3](-[c:12]2[c:13]([F:21])[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].[N:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29]>>[Cl:1][c:2]1[c:3](-[c:12]2[c:13]([F:21])[cH:14][c:15]([Cl: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]

Participants

Reactant 4

HCID 312Chloride

HCID 6342Acetonitrile

HCID 10906Tert-Butyl nitrite

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

Product 1

HCID 186156481-Methyl-3-(2-fluoro-4-chloro-5-methoxyphenyl)-4-chloro-5-trifluoromethyl-1H-pyrazole

Sources & evidence

ORD record: ord-adb354b4a9a7473ea45809cc11afa476
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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