Acetonitrile → 3-cyclopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanenitrile

HRID 2126790

Reaction equation

HRID 2126790 reaction equation
[CH3:15][C:16]#[N:17].[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].[CH:18]1([CH:21]=[CH:22][C:23]#[N:24])[CH2:19][CH2:20]1.[N:25]12[CH2:26][CH2:27][CH2:28][N:29]=[C:30]1[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2>>[CH3:1][C:2]1([CH3:14])[O:3][B:4]([c:9]2[cH:10][n:11][n:12]([CH:21]([CH:18]3[CH2:19][CH2:20]3)[CH2:22][C:23]#[N:24])[cH:13]2)[O:5][C:6]1([CH3:7])[CH3:8]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 27740104-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 670567823-Cyclopropylacrylonitrile

Product 1

HCID 674580563-cyclopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanenitrile

Sources & evidence

ORD record
ord-ac99974051ea4d9fa963c1d81710705b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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