HRID686187

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID66960

Dimethylaminopropyl chloride

C5H12ClN

结构：O=C1Nc2c(ccc3ccccc23)SC1c1cccc(C(F)(F)F)c1

HCID18984425

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCCN1C(=O)C(c2cccc(C(F)(F)F)c2)Sc2ccc3ccccc3c21

HCID18984428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5dfc9acfdd4b4c2ab5181ed817c84806
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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