HRID1127979

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID2764318

methyl 2,5-dichloronicotinate

C7H5Cl2NO2

HCID21973396

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(Cl)cnc1NCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C

HCID178498043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d23eb71fa183486dae17f7572a012009
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

[CH3:21][O:22][C:23]([c:24]1[c:25]([Cl:31])[n:26][cH:27][c:28]([Cl:30])[cH:29]1)=[O:32].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][C:41]#[N:42].[NH2:1][CH2:2][C:3](=[O:4])[N:5]1[CH:6]([CH3:20])[CH2:7][N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[CH:9]([CH3:11])[CH2:10]1>>[NH:1]([CH2:2][C:3](=[O:4])[N:5]1[CH:6]([CH3:20])[CH2:7][N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[CH:9]([CH3:11])[CH2:10]1)[c:25]1[c:24]([C:23]([O:22][CH3:21])=[O:32])[cH:29][c:28]([Cl:30])[cH:27][n:26]1