HRID951132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID7961

Bromobenzene

C6H5Br

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID2745721

4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine

C14H12N4O

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2ccccc2)c1-c1ccnc(Nc2ccccc2)n1

HCID9949334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c04d2c61033e456092179a19e78190d8
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:1][c:2]1[c:3](-[c:13]2[n:14][c:15]([NH2:19])[n:16][cH:17][cH:18]2)[c:4](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:5][o:6]1.[CH3:73][C:74]([CH3:75])([O-:76])[CH3:77].[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[CH:112](=[CH:113][C:114]([CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1)=[O:123])[c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[CH:130](=[CH:131][C:132]([CH:133]=[CH:134][c:135]1[cH:136][cH:137][cH:138][cH:139][cH:140]1)=[O:141])[c:142]1[cH:143][cH:144][cH:145][cH:146][cH:147]1.[CH:94](=[CH:95][C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)=[O:105])[c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Na+:78].[Pd:92].[Pd:93].[cH:27]1[cH:28][cH:29][c:30]([P:31]([c:32]2[cH:33][cH:34][c:35]3[c:36]([cH:37][cH:38][cH:39][cH:40]3)[c:41]2-[c:42]2[c:43]3[c:44]([cH:45][cH:46][cH:47][cH:48]3)[cH:49][cH:50][c:51]2[P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72]1>>[CH3:1][c:2]1[c:3](-[c:13]2[n:14][c:15]([NH:19][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[n:16][cH:17][cH:18]2)[c:4](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:5][o:6]1