HRID1133228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID813

Potassium cation

K+

2 次

HCID6661

1,3-Dimethyl-2-imidazolidinone

C5H10N2O

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cccc3c(Cl)ncc(Cl)c23)C1

HCID87322862

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cccc3c(N)ncc(Cl)c23)C1

HCID67243409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44dd9d9f96264bb9ab45e4ab739876c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]2[c:18]3[c:19]([Cl:28])[cH:20][n:21][c:22]([Cl:27])[c:23]3[cH:24][cH:25][cH:26]2)[CH2:12][CH2:13]1.[C:29](=[O:30])([O-:31])[O-:32].[CH3:36][N:37]1[CH2:38][CH2:39][N:40]([CH3:41])[C:42]1=[O:43].[K+:33].[K+:34].[NH3:35]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]2[c:18]3[c:19]([Cl:28])[cH:20][n:21][c:22]([NH2:35])[c:23]3[cH:24][cH:25][cH:26]2)[CH2:12][CH2:13]1