HRID934387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID80972

Ethane, 1-bromo-2-methoxy-

C3H7BrO

结构：CC1=C(C#N)C(c2ccc(C#N)cc2S(=O)[O-])N(C)C(=O)N1c1cccc(C(F)(F)F)c1

HCID178428463

未命名化合物

PRODUCTS

生成物

结构：COCCS(=O)(=O)c1cc(C#N)ccc1C1C(C#N)=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N1C

HCID77151913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67ba126200064928bdd4c25139460ea8
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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