HRID1218322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8855

Butyryl chloride

C4H7ClO

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID28486

Lithium ion

Li+

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

HCID60205612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-003380645ca64bcaaaed21ef5ac09c25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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