HRID284340

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

HCID98210

3-Pyrrolidinol

C4H9NO

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

HCID2736323

3-Bromo-5-fluorobenzotrifluoride

C7H3BrF4

PRODUCTS

生成物

HCID67022301

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6170cfd8cb5d46ae831721ebf6d0778f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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