HRID676399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8476

Benzenesulfonyl chloride, 3-nitro-

C6H4ClNO4S

HCID69169743

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Nc1cc(C)c(F)c(C)c1

HCID69169791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b5681cce82d4d1588edafcbe8e6893a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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