HRID292023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

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

HCID2773791

2-Chloro-4-iodo-5-(trifluoromethyl)pyridine

C6H2ClF3IN

HCID12264820

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(Nc2cc(Cl)ncc2C(F)(F)F)cccc1OC

HCID86655144

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9638442e2ec242dc9aeea7aba57208b7
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

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