HRID146291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

结构：NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc(Cl)cc2)cc1

HCID9947165

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1ccc(-n2nc(CCl)cc2-c2ccc(Cl)cc2)cc1

HCID9970126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd6ab59f1f3a42da815deb2565273f35
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl-:37].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([CH2:23][OH:24])[n:11][n:12]2-[c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[NH2:22])[cH:17][cH:18]2)[cH:6][cH:7]1.[Li+:36].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[c:25]1([CH3:26])[cH:27][cH:28][c:29]([S:30](=[O:31])(=[O:32])[Cl:34])[cH:33][cH:35]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([CH2:23][Cl:34])[n:11][n:12]2-[c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[NH2:22])[cH:17][cH:18]2)[cH:6][cH:7]1