HRID162206

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

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID1848511

1-(CHLOROACETYL)-4-(4-FLUOROPHENYL)PIPERAZINE

C12H14ClFN2O

HCID178440980

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(C(F)(F)F)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1

HCID21071052

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb6a1c4faad449ac801f905903095ee5
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:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[n:8][nH:9]1.[C:42]([O:43][CH2:44][CH3:45])(=[O:46])[CH3:47].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[Cl:20][CH2:21][C:22](=[O:23])[N:24]1[CH2:25][CH2:26][N:27]([c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[CH2:28][CH2:29]1.[K+:14].[K+:15].[O-:16][C:17]([O-:18])=[O:19].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[n:8]([CH2:21][C:22](=[O:23])[N:24]2[CH2:25][CH2:26][N:27]([c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]3)[CH2:28][CH2:29]2)[n:9]1