HRID199033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2388931

2-chloro-N-(3-fluorophenyl)acetamide

C8H7ClFNO

结构：CC1(C)CN(C(c2ccc(F)cc2)c2ccc(F)cc2)CCN1

HCID19827110

1-[Bis(4-fluorophenyl)methyl]-3,3-dimethylpiperazine

C19H22F2N2

PRODUCTS

生成物

结构：CC1(C)CN(C(c2ccc(F)cc2)c2ccc(F)cc2)CCN1CC(=O)Nc1cccc(F)c1

HCID19827114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dcb4a4256854b49a75b5930752376e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][C:11]([CH3:15])([CH3:16])[NH:12][CH2:13][CH2:14]2)[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:6][cH:7]1.[F:24][c:25]1[cH:26][c:27]([NH:31][C:32]([CH2:33][Cl:34])=[O:35])[cH:28][cH:29][cH:30]1.[K+:40].[K+:41].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][C:11]([CH3:15])([CH3:16])[N:12]([CH2:33][C:32]([NH:31][c:27]3[cH:26][c:25]([F:24])[cH:30][cH:29][cH:28]3)=[O:35])[CH2:13][CH2:14]2)[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:6][cH:7]1