HRID290303

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

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

HCID4574913

未命名化合物

结构：COc1cc(OC)c(CN2CC(=O)N(CC(F)(F)F)c3ccccc3C2=O)c(OC)c1

HCID21955651

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)c(CN2C(=O)c3ccccc3N(CC(F)(F)F)C(=O)C2N=[N+]=[N-])c(OC)c1

HCID21955800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e49ff568707a4a5680ec7b592ee6b147
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:59](=[O:60])([O-:61])[OH:62].[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:32][C:33]([CH3:34])([O-:35])[CH3:36].[CH3:69][C:70](=[O:71])[OH:72].[CH:38]([c:39]1[cH:40][c:41]([CH:42]([CH3:43])[CH3:44])[cH:45][c:46]([CH:47]([CH3:48])[CH3:49])[c:50]1[S:51](=[O:52])(=[O:53])[N:56]=[N+:57]=[N-:58])([CH3:54])[CH3:55].[F:1][C:2]([CH2:3][N:4]1[C:5](=[O:29])[CH2:6][N:7]([CH2:16][c:17]2[c:18]([O:27][CH3:28])[cH:19][c:20]([O:25][CH3:26])[cH:21][c:22]2[O:23][CH3:24])[C:8](=[O:15])[c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2)([F:30])[F:31].[K+:37].[Na+:63]>>[F:1][C:2]([CH2:3][N:4]1[C:5](=[O:29])[CH:6]([N:56]=[N+:57]=[N-:58])[N:7]([CH2:16][c:17]2[c:18]([O:27][CH3:28])[cH:19][c:20]([O:25][CH3:26])[cH:21][c:22]2[O:23][CH3:24])[C:8](=[O:15])[c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2)([F:30])[F:31]