HRID687072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：O=C(c1ccc(F)cc1NCc1cc(Cl)cc(Cl)c1)C(F)(F)F

HCID58707344

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)C(F)(F)F)c(NCc3cc(Cl)cc(Cl)c3)c2)CC1

HCID58707280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8e91379eb96465a8ab5296ca18df40b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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