HRID137005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID520989

3-Chloro-4-fluorobenzoic acid

C7H4ClFO2

HCID67772541

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(CN1CCCC(F)(F)C1)N(C)C(=O)c1ccc(F)c(Cl)c1

HCID67773860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-164e094ea14f4c5ba9ee9a1341201d78
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-:12]([F:13])([F:14])([F:15])[F:16].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[F:11].[F:34][C:35]1([F:48])[CH2:36][N:37]([CH2:41][CH:42]([CH:43]([CH3:44])[CH3:45])[NH:46][CH3:47])[CH2:38][CH2:39][CH2:40]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[N:46]([CH:42]([CH2:41][N:37]2[CH2:36][C:35]([F:34])([F:48])[CH2:40][CH2:39][CH2:38]2)[CH:43]([CH3:44])[CH3:45])[CH3:47])[cH:8][cH:9][c:10]1[F:11]