HRID159560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID14772700

2-Methyl-1,3-thiazol-4-amine

C4H6N2S

HCID86612415

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(Nc2ncc(-c3cccnc3)c3sc(C)nc23)cs1

HCID16660577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8395c284c545496687a32030a81f82d4
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

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