HRID196191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7504

Benzylamine

C7H9N

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

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

HCID634876

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

C44H32P2

HCID4574913

未命名化合物

HCID66759713

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NCc2ccccc2)cc2c(c1C)OC(C)(C)C2=O

HCID66759427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2713bc2de8464ec488b657e89777a52f
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

[Br:7][c:8]1[c:9]([CH3:21])[c:10]([CH3:20])[c:11]2[c:12]([cH:19]1)[C:13](=[O:18])[C:14]([CH3:16])([CH3:17])[O:15]2.[C:76]([O-:77])(=[O:78])[CH3:79].[C:81]([O-:82])(=[O:83])[CH3:84].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:85][CH2:86][O:87][C:88](=[O:89])[CH3:90].[CH3:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[NH2:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[Na+:6].[OH2:91].[Pd+2:80].[cH:30]1[cH:31][cH:32][c:33]([P:34]([c:35]2[cH:36][cH:37][c:38]3[c:39]([cH:40][cH:41][cH:42][cH:43]3)[c:44]2-[c:45]2[c:46]3[c:47]([cH:48][cH:49][cH:50][cH:51]3)[cH:52][cH:53][c:54]2[P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75]1>>[c:8]1([NH:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:9]([CH3:21])[c:10]([CH3:20])[c:11]2[c:12]([cH:19]1)[C:13](=[O:18])[C:14]([CH3:16])([CH3:17])[O:15]2