HRID698061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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：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

HCID7010420

4-Bromo-2-chlorobenzonitrile

C7H3BrClN

HCID178433433

未命名化合物

PRODUCTS

生成物

结构：CC1C(O[Si](C)(C)C(C)(C)C)CC(=O)N1c1ccc(C#N)c(Cl)c1

HCID72325675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7a44c398fea42cea122bedd24f76978
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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