HRID808308

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID97389

2,4-Oxazolidinedione

C3H3NO3

HCID51050036

未命名化合物

HCID178418306

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C=C2OC(=O)NC2=O)ccc1Oc1ccc(C#N)c2ccccc12

HCID67386941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3c228c315254421959d1ebe2308c1cf
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:10]([Li:11])([CH3:12])([CH3:13])[CH3:14].[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:15][CH2:16][CH2:17][CH2:18][CH3:19].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH:20](=[O:21])[c:22]1[cH:23][c:24]([O:41][CH3:42])[c:25]([O:26][c:27]2[cH:28][cH:29][c:30]([C:37]#[N:38])[c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]23)[cH:39][cH:40]1.[Cl-:8].[ClH:43].[Li+:9].[O:1]1[C:2](=[O:7])[NH:3][C:4](=[O:6])[CH2:5]1.[OH2:44].[c:45]1([CH3:46])[cH:47][cH:48][c:49]([S:50]([OH:51])(=[O:52])=[O:53])[cH:54][cH:55]1>>[O:1]1[C:2](=[O:7])[NH:3][C:4](=[O:6])[C:5]1=[CH:20][c:22]1[cH:23][c:24]([O:41][CH3:42])[c:25]([O:26][c:27]2[cH:28][cH:29][c:30]([C:37]#[N:38])[c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]23)[cH:39][cH:40]1