HRID140492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID28486

Lithium ion

Li+

HCID13937024

未命名化合物

结构：CNC(C(=O)NC(C(=O)N(C)C(C=O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

HCID72370856

未命名化合物

PRODUCTS

生成物

结构：CNC(C(=O)NC(C(=O)N(C)C(C=C1C(=O)NC(=O)N1C)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

HCID178484702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37ab82229d5f476b847e321a81cc9b02
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

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