HRID169133

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID10635129

6-Chloro-2-Naphthylsulfonyl Chloride

C10H6Cl2O2S

HCID11402671

1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate

C12H22N2O4

PRODUCTS

生成物

结构：CCOC(=O)C1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc2cc(Cl)ccc2c1

HCID69700224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d409a04d54c488ca64e014cc79c90bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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