HRID2317100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID137254

1-Methyl-3-aminopyrazole

C4H7N3

结构：CS(=O)(=O)c1ccc(C(=NOC2CCCCC2)C(=O)O)cc1Cl

HCID91064114

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc(NC(=O)C(=NOC2CCCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1

HCID72373105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2df433ace4a54e2da6ac537b7a3ec5fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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