HRID143081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID79435

5-Bromopentanenitrile

C5H8BrN

结构：CC(C)(C)OC(=O)N1CCC(C(=O)c2nc3ccccc3[nH]2)CC1

HCID18333235

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)c2nc3ccccc3n2CCCCC#N)CC1

HCID18946512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41a7a7a1c45f4e20b1cf207bd2ebd238
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:25][CH2:26][CH2:27][CH2:28][CH2:29][C:30]#[N:31].[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[K+:36].[K+:37].[OH2:43].[nH:1]1[c:2]([C:10](=[O:11])[CH:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[n:1]1([CH2:26][CH2:27][CH2:28][CH2:29][C:30]#[N:31])[c:2]([C:10](=[O:11])[CH:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2