HRID1553178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

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

HCID44600833

未命名化合物

PRODUCTS

生成物

结构：CC1(N=[N+]=[N-])CCCCn2c1nc(-c1ccncn1)cc2=O

HCID86636836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53c8cb12dba04caa91d1792c8b97780c
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][CH:2]1[c:3]2[n:4]([c:9](=[O:19])[cH:10][c:11](-[c:13]3[n:14][cH:15][n:16][cH:17][cH:18]3)[n:12]2)[CH2:5][CH2:6][CH2:7][CH2:8]1.[CH3:20][Si:21]([N-:22][Si:23]([CH3:24])([CH3:25])[CH3:26])([CH3:27])[CH3:28].[CH3:51][C:52](=[O:53])[OH:54].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH3:66][N:67]1[CH2:68][CH2:69][CH2:70][N:71]([CH3:72])[C:73]1=[O:74].[CH:30]([c:31]1[cH:32][c:33]([CH:34]([CH3:35])[CH3:36])[cH:37][c:38]([CH:39]([CH3:40])[CH3:41])[c:42]1[S:43](=[O:44])(=[O:45])[N:48]=[N+:49]=[N-:50])([CH3:46])[CH3:47].[Li+:29].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[O:75]1[CH2:76][CH2:77][CH2:78][CH2:79]1>>[CH3:1][C:2]1([N:48]=[N+:49]=[N-:50])[c:3]2[n:4]([c:9](=[O:19])[cH:10][c:11](-[c:13]3[n:14][cH:15][n:16][cH:17][cH:18]3)[n:12]2)[CH2:5][CH2:6][CH2:7][CH2:8]1