HRID139774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID738038

3-chloro-4-methoxybenzenemethanamine

C8H10ClNO

HCID11347981

未命名化合物

PRODUCTS

生成物

结构：CCCc1nn(C)c2c(NCc3ccc(OC)c(Cl)c3)nc(COCC(=O)OCC)nc12

HCID11408593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc1c00314bea4d6d96d7dc1a8827ca1c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([CH2:8][O:9][CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[n:7]1)[c:16]([CH2:20][CH2:21][CH3:22])[n:17][n:18]2[CH3:19].[Cl:23][c:24]1[cH:25][c:26]([CH2:27][NH2:28])[cH:29][cH:30][c:31]1[O:32][CH3:33].[K+:38].[K+:39]>>[c:2]1([NH:28][CH2:27][c:26]2[cH:25][c:24]([Cl:23])[c:31]([O:32][CH3:33])[cH:30][cH:29]2)[c:3]2[c:4]([n:5][c:6]([CH2:8][O:9][CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[n:7]1)[c:16]([CH2:20][CH2:21][CH3:22])[n:17][n:18]2[CH3:19]