HRID196108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID20205101

未命名化合物

结构：COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc(N)cc2)cc1)C(C)C

HCID66909162

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3oc4ccc(C(C)=O)c(O)c4c3C)cc2)cc1)C(C)C

HCID68716410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0410c3d0e8164bae9606cdf34a848169
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]([O:2][C:4](=[O:5])[c:6]1[o:7][c:8]2[c:9]([c:10]1[CH3:11])[c:12]([OH:19])[c:13]([C:16]([CH3:17])=[O:18])[cH:14][cH:15]2)[CH3:3].[CH3:20][CH2:21][N:22]=[C:23]=[N:24][CH2:25][CH2:26][CH2:27][N:28]([CH3:29])[CH3:30].[CH3:31][O:32][C:33]([CH:34]([CH:35]([CH3:36])[CH3:37])[NH:38][S:39](=[O:40])(=[O:41])[c:42]1[cH:43][cH:44][c:45](-[c:48]2[cH:49][cH:50][c:51]([NH2:54])[cH:52][cH:53]2)[cH:46][cH:47]1)=[O:55].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[C:4](=[O:5])([c:6]1[o:7][c:8]2[c:9]([c:10]1[CH3:11])[c:12]([OH:19])[c:13]([C:16]([CH3:17])=[O:18])[cH:14][cH:15]2)[NH:54][c:51]1[cH:50][cH:49][c:48](-[c:45]2[cH:44][cH:43][c:42]([S:39]([NH:38][CH:34]([C:33]([O:32][CH3:31])=[O:55])[CH:35]([CH3:36])[CH3:37])(=[O:40])=[O:41])[cH:47][cH:46]2)[cH:53][cH:52]1