HRID1543331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID77922

tert-Butyl carbamate

C5H11NO2

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

HCID67774274

2,7-Dibromo[1,2,4]triazolo[1,5-a]pyridine

C6H3Br2N3

PRODUCTS

生成物

HCID67774787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70480344bf284321825c065c111c3aff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[n:3][n:4]2[c:5]([cH:6][c:7]([Br:10])[cH:8][cH:9]2)[n:11]1.[C:12]([NH2:13])([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19].[C:20](=[O:21])([O-:22])[O-:23].[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:76](=[CH:77][C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)=[O:87])[c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]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.[Cs+:24].[Cs+:25].[O:68]1[CH2:69][CH2:70][O:71][CH2:72][CH2:73]1.[Pd:74].[Pd:75].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[c:35]3[c:59]([cH:60][cH:61][cH:62]2)[C:56]([CH3:57])([CH3:58])[c:38]2[c:37]([c:42]([P:43]([c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[c:50]4[cH:51][cH:52][cH:53][cH:54][cH:55]4)[cH:41][cH:40][cH:39]2)[O:36]3)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[Br:1][c:2]1[n:3][n:4]2[c:5]([cH:6][c:7]([NH:13][C:12]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[cH:8][cH:9]2)[n:11]1