HRID292589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID2795193

5-Pyrimidinylboronic acid

C4H5BN2O2

HCID86665758

未命名化合物

PRODUCTS

生成物

结构：Clc1nc(N2CCOCC2)c2ccc(-c3cncnc3)cc2n1

HCID86665759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-613803e63f2f49afb7997e22c1fecdeb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[n:7][c:8]([Cl:12])[n:9][c:10]2[cH:11]1.[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[OH2:80].[Pd:39]([Cl:40])[Cl:41].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[n:19]1[cH:20][n:21][cH:22][c:23]([B:25]([OH:26])[OH:27])[cH:24]1>>[c:2]1(-[c:23]2[cH:22][n:21][cH:20][n:19][cH:24]2)[cH:3][cH:4][c:5]2[c:6]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[n:7][c:8]([Cl:12])[n:9][c:10]2[cH:11]1