HRID1143178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID4911

Probenecid

C13H19NO4S

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID24386

Thionyl chloride

Cl2OS

HCID22283026

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(OC)ccc(-c4ccccc4)c3s2)cc1

HCID22283065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-806005dba2c047258e049c5415478f39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:1]([CH2:2][CH3:3])[N:4]([S:5](=[O:6])(=[O:7])[c:8]1[cH:9][cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]1)[CH2:17][CH2:18][CH3:19].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH3:56][N:57]([c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1)[CH3:64].[NH2:24][c:25]1[s:26][c:27]2[c:28]([n:29]1)[c:30]([O:40][CH3:41])[cH:31][cH:32][c:33]2-[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[S:20]([Cl:21])([Cl:22])=[O:23]>>[CH2:1]([CH2:2][CH3:3])[N:4]([S:5](=[O:6])(=[O:7])[c:8]1[cH:9][cH:10][c:11]([C:12](=[O:14])[NH:24][c:25]2[s:26][c:27]3[c:28]([n:29]2)[c:30]([O:40][CH3:41])[cH:31][cH:32][c:33]3-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:15][cH:16]1)[CH2:17][CH2:18][CH3:19]