HRID941633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7368

Benzotrifluoride

C7H5F3

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID78504

2,6-Dichloropyrazine

C4H2Cl2N2

HCID81531

Diisopropylethylamine

C8H19N

HCID44118663

tert-Butyl 2-benzylpiperazine-1-carboxylate

C16H24N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cncc(Cl)n2)CC1Cc1ccccc1

HCID72264488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0af72a455c25473ca2970dc595640c9f
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:9](=[O:10])([O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[N:16]1[CH:17]([CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:18][NH:19][CH2:20][CH2:21]1.[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH:29]([N:30]([CH:31]([CH3:32])[CH3:33])[CH2:34][CH3:35])([CH3:36])[CH3:37].[Cl:1][c:2]1[n:3][c:4]([Cl:8])[cH:5][n:6][cH:7]1.[F:50][C:51]([c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)([F:58])[F:59].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1>>[c:2]1([N:19]2[CH2:18][CH:17]([CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[N:16]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:21][CH2:20]2)[n:3][c:4]([Cl:8])[cH:5][n:6][cH:7]1