HRID1121989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID311

Citric acid

C6H8O7

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID23381

Benzonitrile, m-bromo-

C7H4BrN

HCID28557

18-Crown-6

C12H24O6

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID14523560

1-{4-[(3-Aminophenyl)methoxy]-2-hydroxy-3-propylphenyl}ethan-1-one

C18H21NO3

PRODUCTS

生成物

结构：CCCc1c(OCc2cccc(Nc3cccc(C#N)c3)c2)ccc(C(C)=O)c1O

HCID68539170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94af435c67574e2280beaaf0960ea15a
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:23][c:24]1[cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30][cH:31]1.[C:122]([O-:123])(=[O:124])[CH3:125].[C:127]([O-:128])(=[O:129])[CH3:130].[C:32](=[O:33])([O-:34])[O-:35].[CH3:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1.[Cs+:36].[Cs+:37].[NH2:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[c:8]([CH2:17][CH2:18][CH3:19])[c:9]([OH:16])[c:10]([C:13]([CH3:14])=[O:15])[cH:11][cH:12]2)[cH:20][cH:21][cH:22]1.[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][O:50][CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH:102][C:103]([CH2:104][C:105]([C:106](=[O:107])[OH:108])([CH2:109][C:110](=[O:111])[OH:112])[OH:113])=[O:114].[Pd+2:126].[cH:56]1[cH:57][cH:58][c:59]([P:60]([c:61]2[cH:62][cH:63][c:64]3[c:65]([cH:66][cH:67][cH:68][cH:69]3)[c:70]2-[c:71]2[c:72]3[c:73]([cH:74][cH:75][cH:76][cH:77]3)[cH:78][cH:79][c:80]2[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[cH:100][cH:101]1>>[NH:1]([c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[c:8]([CH2:17][CH2:18][CH3:19])[c:9]([OH:16])[c:10]([C:13]([CH3:14])=[O:15])[cH:11][cH:12]2)[cH:20][cH:21][cH:22]1)[c:24]1[cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30][cH:31]1