Sodium Ion → 3-Bromo-2-(4-chloro-2-fluorophenyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazole

Reaction equation

[CH2:23]([N:24]([CH2:25][CH3:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[CH3:33].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[Cl:1][c:2]1[cH:3][c:4]([F:17])[c:5](-[n:8]2[nH:9][c:10]3[c:11]([c:12]2=[O:13])[CH2:14][CH2:15][CH2:16]3)[cH:6][cH:7]1.[Na+:35].[OH-:34].[OH2:36].[P:18]([Br:19])([Br:20])([Br:21])=[O:22]>>[Cl:1][c:2]1[cH:3][c:4]([F:17])[c:5](-[n:8]2[n:9][c:10]3[c:11]([c:12]2[Br:20])[CH2:14][CH2:15][CH2:16]3)[cH:6][cH:7]1

Participants

Reactant 7

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 962Water

HCID 6228Dimethylformamide

HCID 7061N,N-Diethylaniline

HCID 24613Phosphorus oxybromide

HCID 227622242-(4-chloro-2-fluorophenyl)-1,4,5,6-tetrahydrocyclopentapyrazol-3(2H)-one

Product 1

Sources & evidence

ORD record: ord-f8285bcacedd4c14b4b37bbccfeb81f7
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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