HRID672355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CC(OC(=O)c1ccc([N+](=O)[O-])cc1)C(NC(=O)OC(C)(C)C)c1cc(F)c(F)c(F)c1

HCID69008413

未命名化合物

PRODUCTS

生成物

结构：CC(O)C(NC(=O)OC(C)(C)C)c1cc(F)c(F)c(F)c1

HCID178468302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64818a50e79441868122e85dc16ce5ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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