HRID2347908

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

HCID45088712

未命名化合物

HCID53400965

2,5-Dichloro-4-iodopyridine

C5H2Cl2IN

PRODUCTS

生成物

HCID86655138

7-[(2,5-Dichloro-4-pyridinyl)amino]-2,3-dihydro-2-methyl-1H-isoindol-1-one

C14H11Cl2N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87bae796318b44e6a37ad52baa087eda
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:64](=[O:65])([O-:66])[O-:67].[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[n:3][cH:4][c:5]([Cl:9])[c:6]([I:8])[cH:7]1.[Cs+:68].[Cs+:69].[NH2:10][c:11]1[cH:12][cH:13][cH:14][c:15]2[c:19]1[C:18](=[O:20])[N:17]([CH3:21])[CH2:16]2.[O-:77][C:78]([CH3:79])=[O:80].[O-:81][C:82]([CH3:83])=[O:84].[O:70]1[CH2:71][CH2:72][O:73][CH2:74][CH2:75]1.[Pd+2:76]>>[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:9])[c:6]([NH:10][c:11]2[cH:12][cH:13][cH:14][c:15]3[c:19]2[C:18](=[O:20])[N:17]([CH3:21])[CH2:16]3)[cH:7]1