HRID2339790

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID605680

4-Fluoro-2-(trifluoromethyl)benzoyl chloride

C8H3ClF4O

结构：CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1

HCID59627388

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1

HCID49848070

LY-2940680

C26H24F4N6O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b10e630d5a14602a4f0ad8a87112b5a
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

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