HRID2335580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID231228

Benzyl 1-aminocyclopentane-1-carboxylate

C13H17NO2

HCID1501912

4'-Bromomethyl-2-cyanobiphenyl

C14H10BrN

PRODUCTS

生成物

结构：N#Cc1ccccc1-c1ccc(CNC2(C(=O)OCc3ccccc3)CCCC2)cc1

HCID20083512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e41dfe094ec0491aa4819cc565b13357
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:15]#[N:16])[cH:11][cH:12][cH:13][cH:14]2)[cH:7][cH:8]1.[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[O:24][C:25](=[O:26])[C:27]1([NH2:32])[CH2:28][CH2:29][CH2:30][CH2:31]1.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:15]#[N:16])[cH:11][cH:12][cH:13][cH:14]2)[cH:7][cH:8]1)[NH:32][C:27]1([C:25]([O:24][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:26])[CH2:28][CH2:29][CH2:30][CH2:31]1