HRID1538984

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8058

n-Hexane

C6H14

HCID19660

Carbonate

CO3-2

HCID46475

N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C11H15N

结构：CCc1cccc(CC)c1-c1cc(OC)c(CBr)c(C#N)n1

HCID66994313

未命名化合物

PRODUCTS

生成物

结构：CCc1cccc(CC)c1-c1cc(OC)c(CN(C)C2CCCc3ccccc32)c(C#N)n1

HCID66993830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c5ad87316bd42659f81c8355ef15068
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][CH2:2][c:3]1[c:4]([C:21]#[N:22])[n:5][c:6](-[c:11]2[c:12]([CH2:19][CH3:20])[cH:13][cH:14][cH:15][c:16]2[CH2:17][CH3:18])[cH:7][c:8]1[O:9][CH3:10].[CH3:29][NH:30][CH:31]1[CH2:32][CH2:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]21.[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH3:47][C:48]#[N:49].[K+:23].[K+:24].[O-:25][C:26]([O-:27])=[O:28].[OH2:50]>>[CH2:2]([c:3]1[c:4]([C:21]#[N:22])[n:5][c:6](-[c:11]2[c:12]([CH2:19][CH3:20])[cH:13][cH:14][cH:15][c:16]2[CH2:17][CH3:18])[cH:7][c:8]1[O:9][CH3:10])[N:30]([CH3:29])[CH:31]1[CH2:32][CH2:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]21