Sodium Ion → Methyl 5-chloro-4-(1-ethyl-4-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxylate

Reaction equation

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

Participants

Reactant 5

HCID 923Sodium Ion2×

HCID 8028Tetrahydrofuran

HCID 19660Carbonate Ion

HCID 57826388Methyl 4-bromo-5-chlorothiophene-2-carboxylate

HCID 578269151-ethyl-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Product 1

HCID 57826796Methyl 5-chloro-4-(1-ethyl-4-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxylate

Sources & evidence

ORD record: ord-c0189834eb7240ca9955dc7997763073
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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