HRID136959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID2735700

N-Boc-1,3-propanediamine

C8H18N2O2

结构：CCOC(=O)c1c(S(=O)(=O)Cl)c2cc(Br)ccc2n1S(=O)(=O)c1ccccc1

HCID86592455

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(S(=O)(=O)NCCCNC(=O)OC(C)(C)C)c2cc(Br)ccc2n1S(=O)(=O)c1ccccc1

HCID67371797

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf67a6c7f23e4954865367c764946247
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

[Br:1][c:2]1[cH:3][c:4]2[c:5]([S:25](=[O:26])(=[O:27])[Cl:28])[c:6]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[n:7]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:8]2[cH:9][cH:10]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Cl:41][CH2:42][Cl:43].[NH2:29][CH2:30][CH2:31][CH2:32][NH:33][C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([S:25](=[O:26])(=[O:27])[NH:29][CH2:30][CH2:31][CH2:32][NH:33][C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[c:6]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[n:7]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:8]2[cH:9][cH:10]1