HRID1116486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1Cl

HCID12067654

2-(3-Chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-propionic acid

C15H19ClO4S

HCID14536427

Methyl 5-aminopyrazine-2-carboxylate

C6H7N3O2

PRODUCTS

生成物

结构：COC(=O)c1cnc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)cn1

HCID67482860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f0629b853e5432ca0f264b1e3949e9c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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