HRID2318478

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID9709

2,4-Difluoroaniline

C6H5F2N

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

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

结构：Cc1ccc([N+](=O)[O-])cc1C(=O)c1ccc(Br)cc1Cl

HCID11494123

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc([N+](=O)[O-])cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl

HCID11618303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b45dd7cd28164beda28d39b3075249b0
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[cH:3][c:4]([Cl:20])[c:5]([C:8](=[O:9])[c:10]2[c:11]([CH3:19])[cH:12][cH:13][c:14]([N+:16](=[O:17])[O-:18])[cH:15]2)[cH:6][cH:7]1.[C:30](=[O:31])([O-:32])[O-:33].[CH3:97][CH2:98][O:99][C:100]([CH3:101])=[O:102].[Cs+:34].[Cs+:35].[F:21][c:22]1[c:23]([NH2:24])[cH:25][cH:26][c:27]([F:29])[cH:28]1.[O-:89][C:90]([CH3:91])=[O:92].[O-:93][C:94]([CH3:95])=[O:96].[O:82]1[CH2:83][CH2:84][O:85][CH2:86][CH2:87]1.[OH2:103].[Pd+2:88].[cH:36]1[cH:37][cH:38][c:39]([P:40]([c:41]2[cH:42][cH:43][c:44]3[c:45]([cH:46][cH:47][cH:48][cH:49]3)[c:50]2-[c:51]2[c:52]3[c:53]([cH:54][cH:55][cH:56][cH:57]3)[cH:58][cH:59][c:60]2[P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81]1>>[c:2]1([NH:24][c:23]2[c:22]([F:21])[cH:28][c:27]([F:29])[cH:26][cH:25]2)[cH:3][c:4]([Cl:20])[c:5]([C:8](=[O:9])[c:10]2[c:11]([CH3:19])[cH:12][cH:13][c:14]([N+:16](=[O:17])[O-:18])[cH:15]2)[cH:6][cH:7]1