HRID2331535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

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

HCID1514160

1,3-dimethoxypropan-2-amine

C5H13NO2

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

HCID2734217

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

C26H36NP

结构：Cc1cc(Br)c2cc(C)c(-c3ccc(Cl)cc3Cl)n2n1

HCID22028171

未命名化合物

PRODUCTS

生成物

结构：COCC(COC)Nc1cc(C)nn2c(-c3ccc(Cl)cc3Cl)c(C)cc12

HCID10454115

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f29dd04f4784255986d52f04794bd64
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:1][c:2]1[c:3]2[n:4]([n:5][c:6]([CH3:8])[cH:7]1)[c:9](-[c:13]1[c:14]([Cl:20])[cH:15][c:16]([Cl:19])[cH:17][cH:18]1)[c:10]([CH3:12])[cH:11]2.[C:57](=[O:58])([O-:59])[O-:60].[CH3:21][O:22][CH2:23][CH:24]([CH2:25][O:26][CH3:27])[NH2:28].[CH3:63][O:64][CH2:65][CH2:66][O:67][CH3:68].[CH:29]1([P:30]([CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2-[c:43]2[c:44]([N:45]([CH3:46])[CH3:47])[cH:48][cH:49][cH:50][cH:51]2)[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[Cs+:61].[Cs+:62].[O:107]=[C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)[CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[O:71]=[C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[Pd:69].[Pd:70]>>[c:2]1([NH:28][CH:24]([CH2:23][O:22][CH3:21])[CH2:25][O:26][CH3:27])[c:3]2[n:4]([n:5][c:6]([CH3:8])[cH:7]1)[c:9](-[c:13]1[c:14]([Cl:20])[cH:15][c:16]([Cl:19])[cH:17][cH:18]1)[c:10]([CH3:12])[cH:11]2