HRID90502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID4142526

tert-Butyl hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

C11H20N2O2

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

HCID21867652

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CN(CCCNc3ccc(C#N)cc3)CC2C1

HCID21867558

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47834959ace64a128ab76409b2e4c337
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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