HRID201912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID9550

Diazomethane

CH2N2

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：CC(C)(C)OC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)O

HCID118071

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)C=[N+]=[N-]

HCID72739076

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a169d3b866e42448053f2046a17e8ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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