HRID683263

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

HCID2734658

(Bromomethyl)cyclobutane

C5H9Br

结构：Cn1ccnc1-c1c2c(=O)n(C)c(=O)[nH]c2nn1Cc1c[nH]c2ccc(Cl)cc12

HCID136334114

未命名化合物

PRODUCTS

生成物

结构：Cn1ccnc1-c1c2c(=O)n(C)c(=O)n(CC3CCC3)c2nn1Cc1c[nH]c2ccc(Cl)cc12

HCID58981167

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3220a8aeef4e4d36a7b06ce9fb8efec1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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