HRID293728

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+

HCID92209

2-Methoxypropionic acid

C4H8O3

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

HCID178495567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c81b6525e084d6c865a5a6fcf874e0b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:26][O:27][CH:28]([C:29](=[O:30])[OH:31])[CH3:32].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[Li+:41].[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-:40].[OH2:42]>>[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]([CH:28]([O:27][CH3:26])[CH3:32])=[O:30]