HRID316280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID78378

未命名化合物

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-b3c8a121105c4c86b56b71ca2326394e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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].[CH3:34][Si:35]([CH3:36])([CH3:37])[N:38]=[N+:39]=[N-:40].[CH3:42][CH2:43][CH2:44][CH2:45][N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58].[CH3:59][C:60]#[N:61].[F-:41]>>[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:38]=[N+:39]=[N-:40])[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]