HRID287989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID66981757

未命名化合物

HCID66981777

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CCc1c(C=COC)cccc1-c1nsc(-c2ccc(OC(C)C)c(C#N)c2)n1

HCID66981937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cda9aa282ba44cc19986376593185751
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[n:3][s:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([O:15][CH:16]([CH3:17])[CH3:18])[c:11]([C:12]#[N:13])[cH:14]2)[n:6]1.[CH2:19]([CH3:20])[c:21]1[c:22]([B:31]2[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]2)[cH:23][cH:24][cH:25][c:26]1[CH:27]=[CH:28][O:29][CH3:30].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[K+:45].[K+:46].[K+:47].[OH2:53].[P:40]([O-:41])([O-:42])([O-:43])=[O:44].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[c:2]1(-[c:22]2[c:21]([CH2:19][CH3:20])[c:26]([CH:27]=[CH:28][O:29][CH3:30])[cH:25][cH:24][cH:23]2)[n:3][s:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([O:15][CH:16]([CH3:17])[CH3:18])[c:11]([C:12]#[N:13])[cH:14]2)[n:6]1