HRID1139049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID24386

Thionyl chloride

Cl2OS

HCID47263

Cetaben

C23H39NO2

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCCNc1ccc(C(=O)N(C)C)cc1

HCID20437361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af4fffa079814be4a3dfd16f673e1d02
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

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