HRID205843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID78747

2-Aminopyrazine

C4H5N3

结构：CS(=O)(=O)c1ccc(C(=NOC2CCCC2)C(=O)O)cc1Cl

HCID91520892

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(=NOC2CCCC2)C(=O)Nc2cnccn2)cc1Cl

HCID72373106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-510dde03a03349dfaac9d937ac8f0fb5
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

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