HRID315387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CCCn1c(=O)c2[nH]c(C34CCC(O)(CC3)CC4)nc2n(CCC)c1=O

HCID9950776

未命名化合物

PRODUCTS

生成物

结构：CCCn1c(=O)c2[nH]c(C34CCC(OS(=O)(=O)c5ccc(C)cc5)(CC3)CC4)nc2n(CCC)c1=O

HCID86591740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c2cf352054849f58d3a4b9399e558cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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