HRID2149172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID2755428

未命名化合物

HCID44474550

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

C11H20N2O2

PRODUCTS

生成物

结构：Cc1cccc(NC(=O)c2cncc(N3CC4CCN(C(=O)OC(C)(C)C)C4C3)n2)c1

HCID67265370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06c6d07515b84a918297d5173a998b30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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