HRID168452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2773486

4-Methoxy-2-methylphenylboronic acid

C8H11BO3

结构：Cc1nc(-c2cnn(C)c2Br)c2c(N3CCC3)ncnn12

HCID68182080

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)c(C)c1

HCID68181883

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e757dc3fe6c14f0e802674c546ddec9d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:22][O:23][c:24]1[cH:25][c:26]([CH3:33])[c:27]([B:30]([OH:31])[OH:32])[cH:28][cH:29]1.[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[K+:41].[K+:42].[K+:43].[N:1]1([c:5]2[n:6][cH:7][n:8][n:9]3[c:10]2[c:11](-[c:15]2[cH:16][n:17][n:18]([CH3:21])[c:19]2[Br:20])[n:12][c:13]3[CH3:14])[CH2:2][CH2:3][CH2:4]1.[OH2:126].[OH2:34].[OH2:35].[P:36]([O-:37])([O-:38])([O-:39])=[O:40].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[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)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[N:1]1([c:5]2[n:6][cH:7][n:8][n:9]3[c:10]2[c:11](-[c:15]2[cH:16][n:17][n:18]([CH3:21])[c:19]2-[c:27]2[c:26]([CH3:33])[cH:25][c:24]([O:23][CH3:22])[cH:29][cH:28]2)[n:12][c:13]3[CH3:14])[CH2:2][CH2:3][CH2:4]1