HRID145003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID80172

4-Cyanobenzoyl chloride

C8H4ClNO

结构：N=C1NC(C(F)(F)F)(C(F)(F)F)C(=C(F)C(F)(F)F)S1

HCID178508427

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(C(=O)NC2=NC(C(F)(F)F)(C(F)(F)F)C(=C(F)C(F)(F)F)S2)cc1

HCID54156390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe96c4b61b49483da22f344eabb764fe
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:28](#[N:29])[c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[Cl:36])[cH:37][cH:38]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cl:46][CH2:47][Cl:48].[NH:1]=[C:2]1[S:3][C:4](=[C:15]([C:16]([F:17])([F:18])[F:19])[F:20])[C:5]([C:7]([F:8])([F:9])[F:10])([C:11]([F:12])([F:13])[F:14])[NH:6]1>>[NH:1]([C:2]1=[N:6][C:5]([C:7]([F:8])([F:9])[F:10])([C:11]([F:12])([F:13])[F:14])[C:4](=[C:15]([C:16]([F:17])([F:18])[F:19])[F:20])[S:3]1)[C:34]([c:33]1[cH:32][cH:31][c:30]([C:28]#[N:29])[cH:38][cH:37]1)=[O:35]