HRID953334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID76310

2-Aminoindane

C9H11N

HCID498716

未命名化合物

HCID749913

Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo-

C15H17NO3

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1ccc(C2(C#N)CCC(NC3Cc4ccccc4C3)CC2)cc1OC

HCID14392040

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e15a0bd4f2ee49ec97031c8fef826397
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:38]([BH3-:39])#[N:40].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2([C:18]#[N:19])[CH2:12][CH2:13][C:14](=[O:17])[CH2:15][CH2:16]2)[cH:6][cH:7][c:8]1[O:9][CH3:10].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:42][CH2:43][OH:44].[ClH:27].[NH2:28][CH:29]1[CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[CH2:37]1.[Na+:41]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2([C:18]#[N:19])[CH2:12][CH2:13][CH:14]([NH:28][CH:29]3[CH2:30][c:31]4[cH:32][cH:33][cH:34][cH:35][c:36]4[CH2:37]3)[CH2:15][CH2:16]2)[cH:6][cH:7][c:8]1[O:9][CH3:10].[ClH:27]