HRID165250

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+

HCID3516088

diethyl 5-hydantoylphosphonate

C7H13N2O5P

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=C1NC(=O)NC1=O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

HCID178484703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16ec78df020a4dcfa3c6ea3a89f641c2
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

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