HRID138712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

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

HCID53400965

2,5-Dichloro-4-iodopyridine

C5H2Cl2IN

HCID59849204

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCN(c2ccc(Nc3cc(Cl)ncc3Cl)c3c2CN(C)C3=O)CC1

HCID86655140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4517b5a781e4996a1d17b6c3820339c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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