HRID2140277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID30165

Iodide ion

I-

HCID74571

4-(Chloromethyl)pyridine

C6H6ClN

结构：Cc1cc(Oc2[nH]c(=O)[nH]c(=O)c2C(C)C)cc(C2OCCO2)c1

HCID59184683

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccncc2)cc(C2OCCO2)c1

HCID59184793

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6621e0e4b51642be8ceca2bbeb2d6abb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:25](=[O:26])([O-:27])[O-:28].[Cl:32][CH2:33][c:34]1[cH:35][cH:36][n:37][cH:38][cH:39]1.[ClH:31].[I-:40].[K+:29].[K+:30].[Li+:41].[O:1]1[CH:2]([c:6]2[cH:7][c:8]([O:9][c:10]3[c:11]([CH:18]([CH3:19])[CH3:20])[c:12](=[O:17])[nH:13][c:14](=[O:16])[nH:15]3)[cH:21][c:22]([CH3:24])[cH:23]2)[O:3][CH2:4][CH2:5]1.[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[O:1]1[CH:2]([c:6]2[cH:7][c:8]([O:9][c:10]3[c:11]([CH:18]([CH3:19])[CH3:20])[c:12](=[O:17])[nH:13][c:14](=[O:16])[n:15]3[CH2:33][c:34]3[cH:35][cH:36][n:37][cH:38][cH:39]3)[cH:21][c:22]([CH3:24])[cH:23]2)[O:3][CH2:4][CH2:5]1