Water → 1-(2-chloroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Reaction equation

[Br:15][CH2:16][CH2:17][Cl:18].[C:19](=[O:20])([O-:21])[O-:22].[CH3:1][C:2]1([CH3:14])[O:3][B:4]([c:9]2[cH:10][n:11][nH:12][cH:13]2)[O:5][C:6]1([CH3:7])[CH3:8].[CH3:25][C:26]#[N:27].[Cs+:23].[Cs+:24].[OH2:28]>>[CH3:1][C:2]1([CH3:14])[O:3][B:4]([c:9]2[cH:10][n:11][n:12]([CH2:16][CH2:17][Cl:18])[cH:13]2)[O:5][C:6]1([CH3:7])[CH3:8]

Participants

Reactant 6

HCID 962Water

HCID 6342Acetonitrile

HCID 78491-Bromo-2-Chloroethane

HCID 19660Carbonate Ion

HCID 104967Cesium cation2×

HCID 27740104-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Product 1

HCID 579497411-(2-chloroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Sources & evidence

ORD record: ord-f94fb4491340428abcd78517d53120a3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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