HRID1214076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID69314

Acetamide, 2-phenoxy-

C8H9NO2

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

HCID67221416

未命名化合物

PRODUCTS

生成物

结构：O=C(COc1ccccc1)Nc1nccn(-c2ccc(F)cc2)c1=O

HCID67974476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76b25b577c134e6394b849118166ab0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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