HRID116855

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

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

HCID634876

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

C44H32P2

HCID2801557

5-Methoxy[1,3]thiazolo[5,4-b]pyridin-2-amine

C7H7N3OS

HCID18967624

4-Chloroquinazolin-6-yl acetate

C10H7ClN2O2

PRODUCTS

生成物

结构：COc1ccc2nc(Nc3ncnc4ccc(OC(C)=O)cc34)sc2n1

HCID86645900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6166e60be7914463a2c03bc0f65f4961
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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