HRID186631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

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：O=C(CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1C(=O)OCC1Cc1ccccc1

HCID68771142

未命名化合物

PRODUCTS

生成物

结构：[N-]=[N+]=NC(C(=O)N1C(=O)OCC1Cc1ccccc1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

HCID90686160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20462883dad24e6685cbbbaa7762fb0c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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