HRID2311103

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID33558

Azide

N3-

结构：CC(C)(C)OC(=O)N1CC(OS(C)(=O)=O)CC1C(=O)Nc1ccc(N2CCOCC2=O)cc1

HCID72393434

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])CC1C(=O)Nc1ccc(N2CCOCC2=O)cc1

HCID178452392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-def7bebad366479f8123ebfab2dd0624
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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