HRID1542853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12088

4-Carboxybenzaldehyde

C8H6O3

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：CN(C)S(=O)(=O)n1ccnc1CNCc1nccn1S(=O)(=O)N(C)C

HCID67285794

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)n1ccnc1CN(Cc1nccn1S(=O)(=O)N(C)C)C(=O)c1ccc(C=O)cc1

HCID87424065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00d73bd7580b4cc18870aa03f7553744
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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