HRID823586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CCOC(OCC)c1ccc(CN(Cc2nccn2S(=O)(=O)N(C)C)Cc2nccn2S(=O)(=O)N(C)C)cc1

HCID67284731

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)n1ccnc1CN(Cc1ccc(C=O)cc1)Cc1nccn1S(=O)(=O)N(C)C

HCID86664464

1H-Imidazole-1-sulfonamide, 2,2′-[[[(4-formylphenyl)methyl]imino]bis(methylene)]bis[N,N-dimethyl-

C20H27N7O5S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82eb8278da544914b9d68218530cfa8d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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