HRID1123535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6569

Methyl ethyl ketone

C4H8O

HCID12102

m-Xylyl chloride

C8H9Cl

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID14999044

未命名化合物

PRODUCTS

生成物

结构：CCn1nc(C(=O)NC2CN(C)CCN(Cc3cccc(C)c3)C2)c2ccccc21

HCID14999045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a04434de4b4747b2b8439429899ae7f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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