HRID92898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID403

4-Aminophenol

C6H7NO

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

结构：O=C(c1ccc(F)cc1)c1ccc(C#Cc2ccccc2)cc1

HCID4095657

4-Fluoro-4'-(phenylethynyl)benzophenone

C21H13FO

PRODUCTS

生成物

结构：Nc1ccc(Oc2ccc(C(=O)c3ccc(C#Cc4ccccc4)cc3)cc2)cc1

HCID23352813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-765cd22779c34bc097ba6bd140957f50
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:46][C:47]([N:48]([CH3:49])[CH3:50])=[O:51].[K+:36].[K+:37].[NH2:1][c:2]1[cH:3][cH:4][c:5]([OH:6])[cH:7][cH:8]1.[OH2:45].[c:9]1([C:15]#[C:16][c:17]2[cH:18][cH:19][c:20]([C:21](=[O:22])[c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)[cH:30][cH:31]2)[cH:10][cH:11][cH:12][cH:13][cH:14]1>>[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:26]2[cH:25][cH:24][c:23]([C:21]([c:20]3[cH:19][cH:18][c:17]([C:16]#[C:15][c:9]4[cH:10][cH:11][cH:12][cH:13][cH:14]4)[cH:31][cH:30]3)=[O:22])[cH:28][cH:27]2)[cH:7][cH:8]1