HRID100220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID66279

1-Propanesulfonyl chloride

C3H7ClO2S

结构：CC1=C(C#N)C(c2ccc3c(c2)c(N)nn3C(=O)OC(C)(C)C)C(C#N)=C(C)N1

HCID24959832

未命名化合物

PRODUCTS

生成物

结构：CCCS(=O)(=O)Nc1nn(C(=O)OC(C)(C)C)c2ccc(C3C(C#N)=C(C)NC(C)=C3C#N)cc12

HCID67023831

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4fcb1f8225f1455086e05e80aca7c9a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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