HRID681045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID9709

2,4-Difluoroaniline

C6H5F2N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

结构：Cn1c(=O)c(Br)cc2cnnc(-c3ccc(F)cc3F)c21

HCID46930537

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)c(Nc2ccc(F)cc2F)cc2cnnc(-c3ccc(F)cc3F)c21

HCID46185428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-800bb5efda384bba82c9a82c4b3418db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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