HRID1541584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7971

3-Pyridinol

C5H5NO

HCID4574913

未命名化合物

结构：CCOC(=O)CCC(CCI)CCCCN(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1

HCID14986720

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCC(CCCCN(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1)CCOc1cccnc1

HCID14986717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4d78311487f4e56a9a201a56aa9e944
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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