HRID1571447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID13566

3-Butyn-1-ol

C4H6O

HCID19660

Carbonate

CO3-2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID1203613

4-(4-chlorophenyl)piperidine

C11H14ClN

PRODUCTS

生成物

HCID18427968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d73b311200104f16b3df90ec0e46ff49
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:32](=[O:33])([O-:34])[O-:35].[CH2:1]([CH2:2][C:3]#[CH:4])[OH:5].[CH3:13][S:14](=[O:15])(=[O:16])[Cl:17].[CH3:44][C:45]#[N:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:6][CH2:7][N:8]([CH2:9][CH3:10])[CH2:11][CH3:12].[Cl:19][c:20]1[cH:21][cH:22][c:23]([CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[cH:24][cH:25]1.[ClH:18].[ClH:38].[K+:36].[K+:37].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1>>[CH2:1]([CH2:2][C:3]#[CH:4])[N:29]1[CH2:28][CH2:27][CH:26]([c:23]2[cH:22][cH:21][c:20]([Cl:19])[cH:25][cH:24]2)[CH2:31][CH2:30]1