HRID1562807

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

HCID185694

2-Fluoro-4-iodoaniline

C6H5FIN

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

HCID634876

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

C44H32P2

结构：O=c1cc(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c2n1CCS2

HCID58380532

Methanesulfonic acid, 1,1,1-trifluoro-, 2,3-dihydro-8-nitro-5-oxo-5H-thiazolo[3,2-a]pyridin-7-yl ester

C8H5F3N2O6S2

PRODUCTS

生成物

结构：O=c1cc(Nc2ccc(I)cc2F)c([N+](=O)[O-])c2n1CCS2

HCID58380554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e798f51fc4e24f5ebc8628ae5b399701
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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