HRID138805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)c1cc(C(C)C)c(S(=O)(=O)N=[N+]=[N-])c(C(C)C)c1

HCID371707

未命名化合物

HCID3280088

未命名化合物

HCID22243679

未命名化合物

PRODUCTS

生成物

HCID22243696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-335cea9464ec421187c1c97b5760d78e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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