HRID206508

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

HCID7498

alpha-Bromotoluene

C7H7Br

HCID19660

Carbonate

CO3-2

结构：CC(C)C(NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)[nH]1

HCID136445668

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

HCID69517950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fae25bba4b0541b09a569935b23b5945
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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