HRID677518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID57416128

7-Bromo-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine

C7H6BrN3S

HCID59276561

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenepropanenitrile

C15H20BNO2

PRODUCTS

生成物

HCID66711978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73090109dceb4e208bbb2e1f8458f978
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:20][c:21]1[cH:22][cH:23][c:24]2[cH:25][n:26][c:27]([S:30][CH3:31])[n:28][n:29]12.[C:58]([O-:59])(=[O:60])[CH3:61].[C:63]([O-:64])(=[O:65])[CH3:66].[CH3:32][C:33]1([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38][B:39]([c:40]2[cH:41][c:42]([CH2:46][CH2:47][C:48]#[N:49])[cH:43][cH:44][cH:45]2)[O:50]1.[CH3:67][CH2:68][O:69][CH2:70][CH3:71].[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[Na+:51].[Na+:52].[O-:53][C:54](=[O:55])[O-:56].[OH2:57].[Pd+2:62].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[c:21]1(-[c:40]2[cH:41][c:42]([CH2:46][CH2:47][C:48]#[N:49])[cH:43][cH:44][cH:45]2)[cH:22][cH:23][c:24]2[cH:25][n:26][c:27]([S:30][CH3:31])[n:28][n:29]12