HRID946267

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID28486

Lithium ion

Li+

HCID77637

Cyclopropanecarbonyl chloride

C4H5ClO

结构：CN(C(=O)OC(C)(C)C)C1CCCN(c2c(Br)cnc3[nH]cc(N)c23)C1

HCID60205597

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CN(C(=O)OC(C)(C)C)C1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)C4CC4)c23)C1

HCID60205599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac013f16e5604a98903f52af689ba4f4
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[CH:33]1([C:36](=[O:37])[Cl:38])[CH2:34][CH2:35]1.[Li+:40].[NH2:1][c:2]1[cH:3][nH:4][c:5]2[n:6][cH:7][c:8]([Br:26])[c:9]([N:11]3[CH2:12][CH:13]([N:17]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH3:25])[CH2:14][CH2:15][CH2:16]3)[c:10]12.[OH-:39].[OH2:41].[cH:27]1[cH:28][cH:29][n:30][cH:31][cH:32]1>>[ClH:38].[NH:1]([c:2]1[cH:3][nH:4][c:5]2[n:6][cH:7][c:8]([Br:26])[c:9]([N:11]3[CH2:12][CH:13]([N:17]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH3:25])[CH2:14][CH2:15][CH2:16]3)[c:10]12)[C:36]([CH:33]1[CH2:34][CH2:35]1)=[O:37]