HRID192633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID45790947

Benzyl 6-aminopyridine-3-carboxylate

C13H12N2O2

结构：CN(C)S(=O)(=O)c1cn(C(CC2CCCC2)C(=O)Cl)cn1

HCID76786037

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)c1cn(C(CC2CCCC2)C(=O)Nc2ccc(C(=O)OCc3ccccc3)cn2)cn1

HCID67130994

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c209d3deb4364d6fb730e02dc8471fb4
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

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