HRID288994

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

HCID12373576

Ethyl 3-bromo-2,2-dimethylpropanoate

C7H13BrO2

结构：CC(C)Oc1ncc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc1Cl

HCID53247490

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Cn1ncc2cc(-c3noc(-c4cnc(OC(C)C)c(Cl)c4)n3)ccc21

HCID59316809

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-942247e783c74c34bfad1ff0571da6c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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