HRID211769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID87063

2,2,2-Trichloroethoxycarbonyl chloride

C3H2Cl4O2

结构：CN(Cc1ccc(C(F)(F)F)c(F)c1)C1CN(Cc2ccccc2)CC1c1ccc(Cl)c(Cl)c1

HCID86641315

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1ccc(C(F)(F)F)c(F)c1)C1CNCC1c1ccc(Cl)c(Cl)c1

HCID75231672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-452b9d5740574277a5f8eb2fa2f69e05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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