HRID86908

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID136809

Benzophenone imine

C13H11N

HCID4574913

未命名化合物

HCID86049190

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)c1ccnc(N=C(c2ccccc2)c2ccccc2)c1

HCID86049192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abee718a84f140948bdb329af4c238d8
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

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