HRID2160925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID88337

4-Cyclohexylbenzoic acid

C13H16O2

HCID10331101

4-Methoxy-3-(4-methylpiperazin-1-yl)aniline

C12H19N3O

PRODUCTS

生成物

结构：COc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1N1CCN(C)CC1

HCID18940674

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7481e2292d464a7aad01098371107c29
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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