HRID2161574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID10633257

Ethyl Piperazine-2-carboxylate

C7H14N2O2

HCID11021414

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CN(CCCN2c3ccccc3CCc3ccccc32)CCN1

HCID54368737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9df496f5c1d34807983d3989dfb3972c
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

[C:43](=[O:44])([O-:45])[O-:46].[CH2:32]([CH3:33])[O:34][C:35](=[O:36])[CH:37]1[NH:38][CH2:39][CH2:40][NH:41][CH2:42]1.[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][S:28](=[O:29])(=[O:30])[Cl:31].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[K+:47].[K+:48].[OH2:56].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[N:6]2[CH2:16][CH2:17][CH2:18][OH:19]>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:11]1[CH2:10][CH2:9][c:8]1[c:7]([cH:15][cH:14][cH:13][cH:12]1)[N:6]2[CH2:16][CH2:17][CH2:18][N:41]1[CH2:40][CH2:39][NH:38][CH:37]([C:35]([O:34][CH2:32][CH3:33])=[O:36])[CH2:42]1