HRID1231590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID53344724

未命名化合物

结构：Cn1cc(-c2cncc(B3OC(C)(C)C(C)(C)O3)c2)cn1

HCID67362964

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1

HCID53344842

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89bee2aa4ca04b6992287d64c8560664
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:41](=[O:42])([OH:43])[O-:44].[CH3:20][n:21]1[n:22][cH:23][c:24](-[c:26]2[cH:27][n:28][cH:29][c:30]([B:32]3[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]3)[cH:31]2)[cH:25]1.[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[c:13]([F:19])[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)[n:5][c:6]2[n:7][cH:8][cH:9][cH:10][c:11]12.[Na+:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:51].[Pd:52]([Cl:53])[Cl:54].[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1>>[c:2]1(-[c:30]2[cH:29][n:28][cH:27][c:26](-[c:24]3[cH:23][n:22][n:21]([CH3:20])[cH:25]3)[cH:31]2)[cH:3][c:4](-[c:12]2[c:13]([F:19])[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)[n:5][c:6]2[n:7][cH:8][cH:9][cH:10][c:11]12