HRID117950

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

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID11459982

ethyl 3-(bromomethyl)phenoxyacetate

C11H13BrO3

结构：OC1CNC(c2nc(-c3ccccc3)c(-c3ccccc3)o2)C1

HCID72970470

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1cccc(CN2CC(O)CC2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

HCID178472975

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02adf7ec09234627aa610c9b1f5aa384
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:30][CH2:31][c:32]1[cH:33][c:34]([O:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[cH:42][cH:43][cH:44]1.[C:24](=[O:25])([O-:26])[O-:27].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[K+:28].[K+:29].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[c:1]1(-[c:7]2[n:8][c:9]([CH:18]3[NH:19][CH2:20][CH:21]([OH:23])[CH2:22]3)[o:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][c:9]([CH:18]3[N:19]([CH2:31][c:32]4[cH:33][c:34]([O:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[cH:42][cH:43][cH:44]4)[CH2:20][CH:21]([OH:23])[CH2:22]3)[o:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1