HRID1222972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

3 次

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID156362

未命名化合物

HCID10953941

4-(4-chlorobutyl)pyridine

C9H12ClN

PRODUCTS

生成物

HCID20339406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c94836c44484b03ae606a527ee18cda
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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