HRID684325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID591073

4-Formylphenylboronic acid

C7H7BO3

HCID86630660

未命名化合物

PRODUCTS

生成物

结构：CNc1c(-c2ccccc2)c(-c2ccc(C=O)cc2)nc2nccn12

HCID86630661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad9b0f02a9a544bdb6e0114b63c3b232
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

[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[CH:19](=[O:20])[c:21]1[cH:22][cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1.[Cl:1][c:2]1[n:3][c:4]2[n:5]([c:6]([NH:14][CH3:15])[c:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[cH:16][cH:17][n:18]2.[Cl:43][CH2:44][Cl:45].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[OH2:42].[Pd:46].[c:104]1([P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[c:2]1(-[c:24]2[cH:23][cH:22][c:21]([CH:19]=[O:20])[cH:26][cH:25]2)[n:3][c:4]2[n:5]([c:6]([NH:14][CH3:15])[c:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[cH:16][cH:17][n:18]2