HRID1149624

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

HCID636044

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

C39H32OP2

HCID7010420

4-Bromo-2-chlorobenzonitrile

C7H3BrClN

HCID178437793

未命名化合物

PRODUCTS

产物

HCID72325704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-08d3de2bb5574c63a365c13a9de28900
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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