HRID191994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID76965

2-Bromobenzyl bromide

C7H6Br2

结构：CC1(C)NC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O

HCID11162285

4-(4,4-Dimethyl-2,5-dioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile

C13H10F3N3O2

HCID68678156

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)c1ccc(CN2C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)c(Br)c1

HCID68677107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e15b727a39d4d39bf7a80db7dc158ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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