HRID165562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID8471

Triethylamine

C6H15N

结构：O=C(O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1

HCID2060096

3-Nitro-4-(1H-1,2,4-triazol-1-yl)benzoic acid

C9H6N4O4

结构：Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc1Br

HCID58297412

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc1Br)c1ccc(-n2cncn2)c([N+](=O)[O-])c1

HCID46944258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec65b2b70de545a3b792e6c2f13144cf
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

[Br:1][c:2]1[c:3]([NH2:22])[c:4]([Br:21])[cH:5][c:6]([C:8]([C:9]([C:10]([F:11])([F:12])[F:13])([F:14])[F:15])([C:16]([F:17])([F:18])[F:19])[F:20])[cH:7]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[Cl:47][CH2:48][CH2:49][Cl:50].[N+:30](=[O:31])([O-:32])[c:33]1[cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40][c:41]1-[n:42]1[n:43][cH:44][n:45][cH:46]1>>[Br:1][c:2]1[c:3]([NH:22][C:36]([c:35]2[cH:34][c:33]([N+:30](=[O:31])[O-:32])[c:41](-[n:42]3[n:43][cH:44][n:45][cH:46]3)[cH:40][cH:39]2)=[O:37])[c:4]([Br:21])[cH:5][c:6]([C:8]([C:9]([C:10]([F:11])([F:12])[F:13])([F:14])[F:15])([C:16]([F:17])([F:18])[F:19])[F:20])[cH:7]1