HRID2153208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2734658

(Bromomethyl)cyclobutane

C5H9Br

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)CC2CCC2)N(C)C(=O)N1c1cccc(C(F)(F)F)c1

HCID178428461

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0194da7aafb452fb56152141e5e40fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:34][CH2:35][CH:36]1[CH2:37][CH2:38][CH2:39]1.[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.[Na+:33].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[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])[CH2:35][CH:36]2[CH2:37][CH2:38][CH2:39]2)[cH:8]1