HRID2309948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID76430

Thiazole, 2-bromo-

C3H2BrNS

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

结构：CCOC1CNCC1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC

HCID10194425

未命名化合物

PRODUCTS

生成物

结构：CCOC1CN(c2nccs2)CC1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC

HCID73100485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-736138d9af5a41269b245ef532cdcf66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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