HRID150811

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：C=CCCCN(CC(NC(=O)OC(C)(C)C)C(=O)OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]

HCID72427467

未命名化合物

PRODUCTS

生成物

结构：C=CCCCN(CC(NC(=O)OC(C)(C)C)C(=O)O)S(=O)(=O)c1ccccc1[N+](=O)[O-]

HCID67328770

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c377d6fce043482ea71ec838f9dce005
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

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