HRID148032

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID2778306

1-(Trifluoromethyl)cyclopropane-1-carboxylic acid

C5H5F3O2

HCID18796740

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(Cl)c([N+](=O)[O-])c1)C1(C(F)(F)F)CC1

HCID59529820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c32554253a44c0cabf0aef28980e14a
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

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