HRID1139632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID15740908

tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate

C11H20N2O2

反应SMILES：Cc1ccc(S(=O)(=O)OCCCNc2ccc(C#N)cc2)cc1

HCID21867652

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1C2CCC1CN(CCCNc1ccc(C#N)cc1)C2

HCID22235550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4ccaba31e44441a7977639518c708101
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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