HRID93595

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

HCID7961

Bromobenzene

C6H5Br

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID105144

Palladium(2+)

Pd+2

HCID4574913

未命名化合物

HCID67302882

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1c1ccccc1

HCID59361526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8892e51726914f39896ae88afcb521a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[C:18]([P:19]([C:20]([CH3:21])([CH3:22])[CH3:23])[C:24]([CH3:25])([CH3:26])[CH3:27])([CH3:28])([CH3:29])[CH3:30].[C:51]([O-:52])(=[O:53])[CH3:54].[C:56]([O-:57])(=[O:58])[CH3:59].[CH3:31][C:32]([CH3:33])([O-:34])[CH3:35].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH:1]12[CH:2]([N:11]3[NH:12][C:13]([CH3:16])([CH3:17])[C:14]3=[O:15])[CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[Na+:36].[OH2:60].[Pd+2:55]>>[CH:1]12[CH:2]([N:11]3[N:12]([c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[C:13]([CH3:16])([CH3:17])[C:14]3=[O:15])[CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2