HRID209142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID33558

Azide

N3-

结构：CC(=O)OC1(C(C)=O)CCC2C3C(OS(C)(=O)=O)C(OS(C)(=O)=O)C4=CC(=O)CCC4(C)C3CCC21C

HCID178475513

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1(C(C)=O)CCC2C3C=C(N=[N+]=[N-])C4=CC(=O)CCC4(C)C3CCC21C

HCID178475508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bd75c0398ee4e89a94e4407f9562e0b
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

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