HRID1574029

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6342

Acetonitrile

C2H3N

2 次

HCID81531

Diisopropylethylamine

C8H19N

HCID85570

Tosylate

C7H7O3S-

HCID412616

未命名化合物

HCID14913739

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc(NC(=O)NC(=O)c2ccc(C#N)cc2)cc1

HCID23370001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5668ea58da649578a5fd49f1dfc61d2
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

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