HRID180652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID2906

Cyclopentylamine

C5H11N

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl Chloride

Cl2OS

HCID14536637

未命名化合物

PRODUCTS

产物

HCID15925382

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-28fa16743434415fa0b16d65ea8fa8cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[C:37](=[O:38])([OH:39])[O-:40].[CH2:42]([Cl:43])[Cl:44].[CH3:45][C:46]#[N:47].[CH:31]1([NH2:36])[CH2:32][CH2:33][CH2:34][CH2:35]1.[ClH:5].[N:6]1([CH2:11][CH:12]([CH3:13])[N:14]2[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[S:21][c:22]3[cH:23][cH:24][c:25]([C:28](=[O:29])[OH:30])[cH:26][c:27]32)[CH2:7][CH2:8][CH2:9][CH2:10]1.[Na+:41].[S:1]([Cl:2])([Cl:3])=[O:4]>>[N:6]1([CH2:11][CH:12]([CH3:13])[N:14]2[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[S:21][c:22]3[cH:23][cH:24][c:25]([C:28](=[O:30])[NH:36][CH:31]4[CH2:32][CH2:33][CH2:34][CH2:35]4)[cH:26][c:27]32)[CH2:7][CH2:8][CH2:9][CH2:10]1