HRID1231838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

4 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID58377586

未命名化合物

HCID68737458

N-(5-Bromopyridin-3-yl)propanamide

C8H9BrN2O

PRODUCTS

生成物

结构：CCC(=O)Nc1cncc(-c2cnc3c(c2)c(C=O)nn3C2CCCCO2)c1

HCID58377773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d98bc798eebf4769871444d2df3b60d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([CH:13]1[O:14][CH2:15][CH2:16][CH2:17][CH2:18]1)[n:9][c:10]2[CH:11]=[O:12].[Br:24][c:25]1[cH:26][c:27]([NH:31][C:32]([CH2:33][CH3:34])=[O:35])[cH:28][n:29][cH:30]1.[Cl:50][CH2:51][Cl:52].[K+:23].[K+:41].[K+:42].[K+:43].[O-:19][C:20]([CH3:21])=[O:22].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:49].[P:36]([O-:37])([O-:38])([O-:39])=[O:40]>>[c:2]1(-[c:25]2[cH:26][c:27]([NH:31][C:32]([CH2:33][CH3:34])=[O:35])[cH:28][n:29][cH:30]2)[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([CH:13]1[O:14][CH2:15][CH2:16][CH2:17][CH2:18]1)[n:9][c:10]2[CH:11]=[O:12]