Acetonitrile → tert-butyl 3-(cyanomethyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylate

HRID 169919Notes

Reaction equation

HRID 169919 reaction equation
[C:15](#[N:16])[CH:17]=[C:18]1[CH2:19][N:20]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:21]1.[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].[CH3:40][C:41]#[N:42].[N:29]12[CH2:30][CH2:31][CH2:32][N:33]=[C:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2>>[CH3:1][C:2]1([CH3:14])[O:3][B:4]([c:9]2[cH:10][n:11][n:12]([C:18]3([CH2:17][C:15]#[N:16])[CH2:19][N:20]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:21]3)[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 457892161-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine

Product 1

HCID 67457197tert-butyl 3-(cyanomethyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylate

Sources & evidence

ORD record
ord-06b0d9b865c9430b9eb77ef31c860049
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…