HRID1120266

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

HCID73777

2,4-Pentadienoic acid, 5-phenyl-

C11H10O2

HCID10331101

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

C12H19N3O

PRODUCTS

产物

反应SMILES：COc1ccc(NC(=O)C=CC=Cc2ccccc2)cc1N1CCN(C)CC1

HCID54032034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d86fca66403645f3bbf539a44df567c9
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

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