HRID308472

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID311869

3-Isoquinolinamine

C9H8N2

HCID58285182

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(Cc2ccnc(Nc3cc4ccccc4cn3)c2)CC1

HCID44612470

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63a66221f9364e9380ae675b23b9ee29
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:29](=[O:30])([O-:31])[O-:32].[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:15]([CH3:16])=[O:17])[CH2:13][CH2:14]2)[cH:7]1.[Cs+:33].[Cs+:34].[NH2:18][c:19]1[n:20][cH:21][c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[cH:28]1>>[c:2]1([NH:18][c:19]2[n:20][cH:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[cH:28]2)[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:15]([CH3:16])=[O:17])[CH2:13][CH2:14]2)[cH:7]1