HRID190380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID85636

2,4-Dimethoxycinnamic acid

C11H12O4

结构：CC(C)CN(C(CCCCN)C(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

HCID178449061

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C=CC(=O)NCCCCC(C(=O)O)N(CC(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1

HCID178490188

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43d344a882b9486e97dbab2e75eecba9
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

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