HRID1200937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7404

Benzenesulfonyl chloride, 4-nitro-

C6H4ClNO4S

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID146156217

未命名化合物

PRODUCTS

生成物

结构：O=C1NC(COS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1CCCCl

HCID138108087

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-766e216ba05d499e9bf8f1a7711354c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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