HRID830023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID28486

Lithium ion

Li+

HCID96623

Acetyl chloride, methoxy-

C3H5ClO2

结构：CC(C)(C)OC(=O)NC1CCCN(c2c(Cl)cnc3[nH]cc(N)c23)C1

HCID60205565

未命名化合物

PRODUCTS

生成物

结构：COCC(=O)Nc1c[nH]c2ncc(Cl)c(N3CCCC(NC(=O)OC(C)(C)C)C3)c12

HCID60205575

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3527d050596d436b9b5eafc9b5ba1290
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:26][O:27][CH2:28][C:29](=[O:30])[Cl:31].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[Li+:40].[NH2:1][c:2]1[cH:3][nH:4][c:5]2[n:6][cH:7][c:8]([Cl:25])[c:9]([N:11]3[CH2:12][CH:13]([NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:14][CH2:15][CH2:16]3)[c:10]12.[OH-:39].[OH2:41]>>[NH:1]([c:2]1[cH:3][nH:4][c:5]2[n:6][cH:7][c:8]([Cl:25])[c:9]([N:11]3[CH2:12][CH:13]([NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:14][CH2:15][CH2:16]3)[c:10]12)[C:29]([CH2:28][O:27][CH3:26])=[O:30]