HRID312935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10906

tert-Butyl nitrite

C4H9NO2

结构：Nc1ccc(C2CCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)cc1C(F)(F)F

HCID59485922

未命名化合物

PRODUCTS

生成物

结构：O=C1CCC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

HCID59486014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9543aaf7f455411e80303cab2412f60c
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

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