HRID168140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID20884

Acetic acid, chlorooxo-, ethyl ester

C4H5ClO3

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)CNC1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1

HCID178448811

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=O)N(CC(C)C)C1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1

HCID76731640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6cf038021c34461a023fa22321eeacb
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

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