HRID682736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID6775

2,3-Dichloro-5,6-dicyano-p-benzoquinone

C8Cl2N2O2

HCID7221

Benzothiophene

C8H6S

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID606665

5-Bromo-2-chloropyrimidine

C4H2BrClN2

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

HCID57428821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1b2d6bce025435da726ab53449092f8
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

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