HRID1570411

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID68320

Propanoic acid, 3-bromo-, ethyl ester

C5H9BrO2

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)Oc1ccc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc1Cl

HCID53239235

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCn1ncc2cc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)ccc21

HCID59316704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-220f08f4fd00462e818e57e977ea215c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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