HRID1127794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6328

Methyl iodide

CH3I

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(c1ccc(-c2ccccc2C(F)(F)F)cc1)N1CCNC(c2ccccc2)C1

HCID57849547

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)CC1c1ccccc1

HCID57849491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a06ff3b1b2724eec8a55d4b720eb0963
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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