HRID287356

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

HCID13324658

tert-Butyl 3-sulfanylpyrrolidine-1-carboxylate

C9H17NO2S

结构：Cc1ccc(S(=O)(=O)OCCNC2=C(c3ccccc3)S(=O)(=O)N(C(C)(C)C)C2=O)cc1

HCID86625866

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(SCCNC2=C(c3ccccc3)S(=O)(=O)N(C(C)(C)C)C2=O)C1

HCID11691969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2b2f5568bd042a9801a967ddb13c8c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:46](=[O:47])([O-:48])[O-:49].[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH2:13][NH:14][C:15]2=[C:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[S:18](=[O:26])(=[O:27])[N:17]([C:28]([CH3:29])([CH3:30])[CH3:31])[C:16]2=[O:32])(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:52][C:53]#[N:54].[K+:50].[K+:51].[SH:33][CH:34]1[CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]1>>[CH2:12]([CH2:13][NH:14][C:15]1=[C:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[S:18](=[O:26])(=[O:27])[N:17]([C:28]([CH3:29])([CH3:30])[CH3:31])[C:16]1=[O:32])[S:33][CH:34]1[CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]1