HRID90880

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11454

Benzene, (1-bromoethyl)-

C8H9Br

HCID19660

Carbonate

CO3-2

结构：CCNC(=O)c1ccc(-n2cc(C(=O)NC3CC3)nn2)c(O)c1

HCID57665000

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)c1ccc(-n2cc(C(=O)NC3CC3)nn2)c(OC(C)c2ccccc2)c1

HCID57664828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6abdd6007a4443b3aff0cf956147f637
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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