HRID204719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

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

HCID19346285

未命名化合物

HCID45588080

4,6-Dichloropyridine-3-carbonitrile

C6H2Cl2N2

PRODUCTS

生成物

HCID67075965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc711ca59cb84ac4ad230cae4aa7bca5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:64](=[O:65])([O-:66])[O-:67].[CH3:11][n:12]1[n:13][c:14]([CH3:21])[c:15]([NH:17][C:18](=[O:19])[CH3:20])[cH:16]1.[CH3:22][C:23]1([CH3:24])[c:25]2[cH:26][cH:27][cH:28][c:29]([P:30]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:43]2[O:44][c:45]2[c:46]1[cH:47][cH:48][cH:49][c:50]2[P:51]([c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cl:1][c:2]1[c:3]([C:9]#[N:10])[cH:4][n:5][c:6]([Cl:8])[cH:7]1.[Cs+:68].[Cs+:69].[Li+:72].[O-:74][C:75]([CH3:76])=[O:77].[O-:78][C:79]([CH3:80])=[O:81].[O:82]1[CH2:83][CH2:84][O:85][CH2:86][CH2:87]1.[OH-:71].[OH2:70].[Pd+2:73]>>[Cl:1][c:2]1[c:3]([C:9]#[N:10])[cH:4][n:5][c:6]([NH:17][c:15]2[c:14]([CH3:21])[n:13][n:12]([CH3:11])[cH:16]2)[cH:7]1