HRID184825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID17750212

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

C10H16BN3O2

结构：NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c1[nH]c1cc(Cl)ccc12

HCID56595325

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c1[nH]c1cc(-c3cnc(N)nc3)ccc12

HCID42635901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c915f7ad9ab74166bc21946a45dd8dae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([c:34]2[cH:35][n:36][c:37]([NH2:40])[n:38][cH:39]2)[O:41]1.[CH:42]1([P:43]([CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([nH:8][c:9]2[cH:10]1)[c:11]([C:23](=[O:24])[NH2:25])[cH:12][n:13][c:14]3[NH:15][CH:16]([CH:17]1[CH2:18][CH2:19]1)[CH:20]1[CH2:21][CH2:22]1.[K+:66].[K+:67].[K+:68].[O:113]=[C:114]([CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1)[CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1.[O:69]1[CH2:70][CH2:71][O:72][CH2:73][CH2:74]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[P:61]([O-:62])([O-:63])([O-:64])=[O:65].[Pd:75].[Pd:76]>>[c:2]1(-[c:34]2[cH:35][n:36][c:37]([NH2:40])[n:38][cH:39]2)[cH:3][cH:4][c:5]2[c:6]3[c:7]([nH:8][c:9]2[cH:10]1)[c:11]([C:23](=[O:24])[NH2:25])[cH:12][n:13][c:14]3[NH:15][CH:16]([CH:17]1[CH2:18][CH2:19]1)[CH:20]1[CH2:21][CH2:22]1