HRID1153499

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6341

Ethanamine

C2H7N

HCID8471

Triethylamine

C6H15N

HCID68266

2-Tetralone

C10H10O

HCID749913

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

C15H17NO3

HCID12843074

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCN(C1CCC(C#N)(c2ccc(OC)c(OC)c2)CC1)C1CCc2ccccc2C1

HCID14648899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6691ccb958fc46d796fa7c6d626a2460
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:28]([CH3:29])[NH:30][CH:31]1[CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[CH2:39][CH2:40]1.[CH2:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[CH2:48][CH2:49][C:50]1=[O:51].[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].[CH3:52][CH2:53][NH2:54].[CH3:55][CH2:56][OH:57].[ClH:27]>>[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:30]([CH2:28][CH3:29])[CH:31]3[CH2:32][c:33]4[cH:34][cH:35][cH:36][cH:37][c:38]4[CH2:39][CH2:40]3)[CH2:15][CH2:16]2)[cH:6][cH:7][c:8]1[O:9][CH3:10].[ClH:27]