HRID662441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID7187

Benzoyl peroxide

C14H10O4

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID81531

Diisopropylethylamine

C8H19N

HCID88638

Benzimidazolone

C12H15N3O

结构：Cc1ccc(-c2nc(Cl)c(C#N)cc2-c2ccccc2)cc1

HCID21103198

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(-c2ccccc2)c(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)nc1Cl

HCID11409804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-961896cf44b94fcea5bea215b38a1d57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:31]([O:32][O:33][C:34](=[O:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)(=[O:42])[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH:65]([N:66]([CH:67]([CH3:68])[CH3:69])[CH2:70][CH3:71])([CH3:72])[CH3:73].[CH:74]([Cl:75])([Cl:76])[Cl:77].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1.[O:23]=[C:24]1[N:25]([Br:26])[C:27](=[O:28])[CH2:29][CH2:30]1.[O:49]=[c:50]1[nH:51][c:52]2[c:53]([n:54]1[CH:55]1[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]1)[cH:61][cH:62][cH:63][cH:64]2>>[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:8](-[c:10]2[cH:11][cH:12][c:13]([CH2:16][N:58]3[CH2:57][CH2:56][CH:55]([n:54]4[c:50](=[O:49])[nH:51][c:52]5[c:53]4[cH:61][cH:62][cH:63][cH:64]5)[CH2:60][CH2:59]3)[cH:14][cH:15]2)[n:9]1