HRID283259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID166653

Hydride

H-

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID2762925

3-Chloro-4-methylpyridine

C6H6ClN

HCID4778175

2-Amino-N,N-dimethylbenzamide

C9H12N2O

PRODUCTS

生成物

HCID59506321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a80f6a602c94716874bb4d600029a7d
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:75]([O-:76])(=[O:77])[CH3:78].[C:80]([O-:81])(=[O:82])[CH3:83].[CH2:69]1[O:70][CH2:71][CH2:72][O:73][CH2:74]1.[Cl:13][c:14]1[cH:15][n:16][cH:17][cH:18][c:19]1[CH3:20].[Cl:84][CH2:85][Cl:86].[H-:68].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[N:6]([CH3:7])[CH3:8])[cH:9][cH:10][cH:11][cH:12]1.[Na+:67].[Pd+2:79].[cH:21]1[cH:22][cH:23][c:24]([P:25]([c:26]2[cH:27][cH:28][c:29]3[c:30]([cH:31][cH:32][cH:33][cH:34]3)[c:35]2-[c:36]2[c:37]3[c:38]([cH:39][cH:40][cH:41][cH:42]3)[cH:43][cH:44][c:45]2[P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66]1>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[N:6]([CH3:7])[CH3:8])[cH:9][cH:10][cH:11][cH:12]1)[c:14]1[cH:15][n:16][cH:17][cH:18][c:19]1[CH3:20]