HRID1564650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

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

结构：CC(CC(=O)N1C(=O)OCC1c1ccccc1)c1ccccc1

HCID3714258

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccccc1)C(N=[N+]=[N-])C(=O)N1C(=O)OCC1c1ccccc1

HCID178435945

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2722219d7011419181ff0018fa3d0630
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

[CH3:1][Si:2]([N-:3][Si:4]([CH3:5])([CH3:6])[CH3:7])([CH3:8])[CH3:9].[CH3:55][C:56](=[O:57])[OH:58].[CH:34]([c:35]1[cH:36][c:37]([CH:38]([CH3:39])[CH3:40])[cH:41][c:42]([CH:43]([CH3:44])[CH3:45])[c:46]1[S:47](=[O:48])(=[O:49])[N:52]=[N+:53]=[N-:54])([CH3:50])[CH3:51].[K+:10].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH2:64].[c:11]1([CH:17]2[N:18]([C:23]([CH2:24][CH:25]([CH3:26])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)=[O:33])[C:19](=[O:22])[O:20][CH2:21]2)[cH:12][cH:13][cH:14][cH:15][cH:16]1>>[c:11]1([CH:17]2[N:18]([C:23]([CH:24]([CH:25]([CH3:26])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[N:52]=[N+:53]=[N-:54])=[O:33])[C:19](=[O:22])[O:20][CH2:21]2)[cH:12][cH:13][cH:14][cH:15][cH:16]1