HRID690325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24386

Thionyl chloride

Cl2OS

HCID46475

N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C11H15N

HCID59678084

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1c(C(=O)N2CCCC2)cc(Cl)nc1Cl)C1CCCc2ccccc21

HCID72355817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af5091c706434d70a3ebcc1a0f9e3dda
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:28][NH:29][CH:30]1[CH2:31][CH2:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]21.[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[CH3:50][C:51]#[N:52].[Cl:1][c:2]1[n:3][c:4]([Cl:17])[cH:5][c:6]([C:10](=[O:11])[N:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[c:7]1[CH2:8][OH:9].[Cl:40][CH2:41][Cl:42].[K+:22].[K+:23].[O-:24][C:25]([O-:26])=[O:27].[OH2:43].[S:18]([Cl:19])([Cl:20])=[O:21]>>[Cl:1][c:2]1[n:3][c:4]([Cl:17])[cH:5][c:6]([C:10](=[O:11])[N:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[c:7]1[CH2:8][N:29]([CH3:28])[CH:30]1[CH2:31][CH2:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]21