HRID1212095

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID4610

1,2-Cyclohexanediamine

C6H14N2

HCID8857

Ethyl acetate

C4H8O2

HCID12665

2-Piperidone

C5H9NO

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：O=C1c2c(c(C(F)(F)F)nn2-c2ccc(F)c(Cl)c2)CCN1c1ccc(I)cc1

HCID22240446

未命名化合物

PRODUCTS

产物

反应SMILES：O=C1CCCCN1c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(F)c(Cl)c4)c3C2=O)cc1

HCID10207564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-350d8e351fc643e698474e2a47663131
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[C:30]1(=[O:36])[CH2:31][CH2:32][CH2:33][CH2:34][NH:35]1.[CH2:55]([O:56][C:57](=[O:58])[CH3:59])[CH3:60].[CH2:61]1[O:62][CH2:63][CH2:64][O:65][CH2:66]1.[Cl:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][c:11]([C:26]([F:27])([F:28])[F:29])[c:12]3[c:13]2[C:14](=[O:25])[N:15]([c:18]2[cH:19][cH:20][c:21]([I:24])[cH:22][cH:23]2)[CH2:16][CH2:17]3)[cH:5][cH:6][c:7]1[F:8].[Cu:53][I:54].[K+:50].[K+:51].[K+:52].[NH2:37][CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH:43]1[NH2:44].[P:45]([O-:46])([O-:47])([O-:48])=[O:49]>>[Cl:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][c:11]([C:26]([F:27])([F:28])[F:29])[c:12]3[c:13]2[C:14](=[O:25])[N:15]([c:18]2[cH:19][cH:20][c:21]([N:35]4[C:30](=[O:36])[CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:22][cH:23]2)[CH2:16][CH2:17]3)[cH:5][cH:6][c:7]1[F:8]