HRID951273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID11334154

4-Boc-1-piperazinecarbonyl Chloride

C10H17ClN2O3

HCID178420751

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)n2nnc3ncccc32)CC1

HCID66842146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ee7ca8e853b4fa89560c7f6dccf8ec3
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

[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][N:42]([CH3:43])[c:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1.[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[Cl:19][C:20](=[O:21])[N:22]1[CH2:23][CH2:24][N:25]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:26][CH2:27]1.[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH2:55].[nH:10]1[n:11][n:12][c:13]2[n:14][cH:15][cH:16][cH:17][c:18]12>>[n:10]1([C:20](=[O:21])[N:22]2[CH2:23][CH2:24][N:25]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:26][CH2:27]2)[n:11][n:12][c:13]2[n:14][cH:15][cH:16][cH:17][c:18]12