HRID87263

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID4574913

未命名化合物

结构：CC(=O)Nc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cs1

HCID86092823

未命名化合物

HCID91199168

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1cc(C=Cc2csc(NC(C)=O)n2)cs1

HCID90712580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05c1cff9c424401e99211e7124ed50f0
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

[C:2]([CH3:3])(=[O:4])[NH:5][c:6]1[s:7][cH:8][c:9]([CH2:11][P+:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[n:10]1.[CH3:31][C:32]([CH3:33])([O-:34])[CH3:35].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH:37](=[O:38])[c:39]1[cH:40][c:41]([CH:44]=[CH:45][C:46](=[O:47])[O:48][CH3:49])[s:42][cH:43]1.[Cl-:1].[Cl-:52].[ClH:50].[K+:36].[Na+:51]>>[C:2]([CH3:3])(=[O:4])[NH:5][c:6]1[s:7][cH:8][c:9]([CH:11]=[CH:37][c:39]2[cH:40][c:41]([CH:44]=[CH:45][C:46](=[O:47])[O:48][CH3:49])[s:42][cH:43]2)[n:10]1