HRID2311860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

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

HCID4279427

未命名化合物

结构：O=C(N1CCc2ccc(Cl)c(OS(=O)(=O)C(F)(F)F)c2CC1)C(F)(F)F

HCID57447747

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(C)Nc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)s1

HCID86629641

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50b01c3f795e43eab26dc3245b3ac841
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

[C:82](=[O:83])([O-:84])[O-:85].[CH3:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[Cl:1][c:2]1[c:3]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2.[Cs+:86].[Cs+:87].[NH2:27][CH:28]([CH3:29])[c:30]1[s:31][c:32]([CH3:35])[cH:33][cH:34]1.[O-:100][C:101]([CH3:102])=[O:103].[O-:96][C:97]([CH3:98])=[O:99].[Pd+2:95].[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>>[Cl:1][c:2]1[c:3]([NH:27][CH:28]([CH3:29])[c:30]2[s:31][c:32]([CH3:35])[cH:33][cH:34]2)[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2