HRID957728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6946

2-Nitrobenzenamine

C6H6N2O2

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

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

HCID634876

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

C44H32P2

HCID22031817

Ethyl 4-bromo-2-fluorobenzoate

C9H8BrFO2

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1F

HCID22032336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68d07a65e2b2499db210ab7f54d2a347
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([F:13])[c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1.[C:24](=[O:25])([O-:26])[O-:27].[CH3:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1.[CH:114](=[CH:115][C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)=[O:125])[c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[CH:78](=[CH:79][C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)=[O:89])[c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[CH:96](=[CH:97][C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)=[O:107])[c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Cs+:28].[Cs+:29].[N+:14](=[O:15])([O-:16])[c:17]1[c:18]([NH2:19])[cH:20][cH:21][cH:22][cH:23]1.[OH2:132].[Pd:76].[Pd:77].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][c:41]3[c:42]([cH:43][cH:44][cH:45][cH:46]3)[c:47]2-[c:48]2[c:49]3[c:50]([cH:51][cH:52][cH:53][cH:54]3)[cH:55][cH:56][c:57]2[P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[c:2]1([NH:19][c:18]2[c:17]([N+:14](=[O:15])[O-:16])[cH:23][cH:22][cH:21][cH:20]2)[cH:3][c:4]([F:13])[c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1