HRID1225105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID13564

ETHANOL, 2-BROMO-, ACETATE

C4H7BrO2

HCID19660

Carbonate

CO3-2

结构：CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=S)NC1c1ccc(C#N)cc1

HCID11596819

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCCSC1=NC(c2ccc(C#N)cc2)C(C(C)=O)=C(C)N1c1cccc(C(F)(F)F)c1

HCID57762457

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b75db51db9ab491cb327484539dd8dc1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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