HRID311696

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID271

Calcium ion

Ca+2

HCID813

Potassium cation

K+

HCID6228

Dimethylformamide

C3H7NO

HCID13394

m-Hydroxybenzonitrile

C7H5NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

2 次

HCID278694

Benzyl (2-bromoethyl)carbamate

C10H12BrNO2

PRODUCTS

产物

反应SMILES：N#Cc1cccc(OCCNC(=O)OCc2ccccc2)c1

HCID17788732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c3c4fead41134c5aa1966a6e6d62ff98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH2:11][CH2:12][Br:13])=[O:14].[CH2:32]([N+:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH3:48].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Ca+2:24].[I-:30].[I-:31].[K+:29].[O-:25][C:26](=[O:27])[O-:28].[OH:15][c:16]1[cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22][cH:23]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH2:11][CH2:12][O:15][c:16]1[cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22][cH:23]1)=[O:14]