HRID172483

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

HCID152932

1-(Bis(4-fluorophenyl)methyl)piperazine

C17H18F2N2

HCID2388931

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

C8H7ClFNO

PRODUCTS

生成物

结构：O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1cccc(F)c1

HCID15143639

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db457cfa79814ab184a55613506ff977
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

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