HRID1119592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID156165

1,1,1-Trifluoro-3-iodopropane

C3H4F3I

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：CC1=C(C#N)C(c2ccc(C#N)cc2S(=O)(=O)CCC(F)(F)F)N(C)C(=O)N1c1cccc(C(F)(F)F)c1

HCID87564227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e080c3492de4fb2be15ca73c93e7d9b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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.[F:34][C:35]([CH2:36][CH2:37][I:38])([F:39])[F:40].[Na+:33].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[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][C:35]([F:34])([F:39])[F:40])[cH:8]1