HRID318981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID6212

Chloroform

CHCl3

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID211157

2-Piperazinone, 3,3-dimethyl-

C6H12N2O

结构：CS(=O)(=O)OCC1CN(Cc2ccccc2)CCN1Cc1ccccc1

HCID123305283

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(=O)NCCN1CC1CN(Cc2ccccc2)CCN1Cc1ccccc1

HCID77148680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a578f357f3f3415aa07a63e3289c80be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:36](=[O:37])([O-:38])[O-:39].[CH3:1][S:2]([O:3][CH2:6][CH:7]1[N:8]([CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:9][CH2:10][N:11]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:12]1)(=[O:4])=[O:5].[CH3:27][C:28]1([CH3:35])[C:29](=[O:34])[NH:30][CH2:31][CH2:32][NH:33]1.[CH3:53][C:54]#[N:55].[CH:45]([Cl:46])([Cl:47])[Cl:48].[CH:49]([OH:50])([CH3:51])[CH3:52].[Cl-:42].[K+:40].[K+:41].[NH4+:43].[OH2:44]>>[CH2:6]([CH:7]1[N:8]([CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:9][CH2:10][N:11]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:12]1)[N:33]1[C:28]([CH3:27])([CH3:35])[C:29](=[O:34])[NH:30][CH2:31][CH2:32]1