HRID1563322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID8471

Triethylamine

C6H15N

HCID498716

未命名化合物

HCID749913

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

C15H17NO3

HCID16784609

6,7-Dimethoxy-1,2,3,4-tetrahydroquinoline

C11H15NO2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1ccc(C2(C#N)CCC(N3CCCc4cc(OC)c(OC)cc43)CC2)cc1OC

HCID14648891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12e329cccff9425d86e7297efa6a5f4d
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

[C:42]([BH3-:43])#[N:44].[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].[CH3:28][O:29][c:30]1[cH:31][c:32]2[c:37]([cH:38][c:39]1[O:40][CH3:41])[NH:36][CH2:35][CH2:34][CH2:33]2.[CH:46]([OH:47])([CH3:48])[CH3:49].[ClH:27].[Na+:45].[OH2:50]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2([C:18]#[N:19])[CH2:12][CH2:13][CH:14]([N:36]3[CH2:35][CH2:34][CH2:33][c:32]4[cH:31][c:30]([O:29][CH3:28])[c:39]([O:40][CH3:41])[cH:38][c:37]43)[CH2:15][CH2:16]2)[cH:6][cH:7][c:8]1[O:9][CH3:10].[ClH:27]