HRID2311956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID4610

1,2-Cyclohexanediamine

C6H14N2

HCID24350

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

CuI

HCID2795231

1-tert-butylimidazolidin-2-one

C7H14N2O

反应SMILES：COc1cn(-c2ccc(I)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O

HCID59436214

1-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

C20H14FIN4O2

PRODUCTS

产物

反应SMILES：COc1cn(-c2ccc(N3CCN(C(C)(C)C)C3=O)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O

HCID58072373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3752aef00e1941bcad443bdf1a57c881
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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