HRID1572292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID33558

Azide

N3-

HCID61778

Bisulfate anion

HO4S-

结构：CC(=O)OCC1OC(Br)C(NC(C)=C2C(=O)CC(C)(C)CC2=O)C(OC(C)=O)C1OC(C)=O

HCID178475928

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(N=[N+]=[N-])C(NC(C)=C2C(=O)CC(C)(C)CC2=O)C(OC(C)=O)C1OC(C)=O

HCID178476059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f8096fe88fe4f6b9db703dbbc692785
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([NH:21][C:22]([CH3:23])=[C:24]2[C:25](=[O:33])[CH2:26][C:27]([CH3:31])([CH3:32])[CH2:28][C:29]2=[O:30])[CH:7]([Br:20])[O:8][CH:9]([CH2:15][O:16][C:17]([CH3:18])=[O:19])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[C:34](=[O:35])([O-:36])[OH:37].[CH2:54]([N+:55]([CH2:56][CH2:57][CH2:58][CH3:59])([CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH2:69][CH3:70].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[N-:40]=[N+:41]=[N-:42].[Na+:38].[Na+:39].[S:49]([O-:50])([OH:51])(=[O:52])=[O:53]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([NH:21][C:22]([CH3:23])=[C:24]2[C:25](=[O:33])[CH2:26][C:27]([CH3:31])([CH3:32])[CH2:28][C:29]2=[O:30])[CH:7]([N:40]=[N+:41]=[N-:42])[O:8][CH:9]([CH2:15][O:16][C:17]([CH3:18])=[O:19])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]