HRID169897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID336224

2,5-Dichloropyrazine

C4H2Cl2N2

HCID11747599

tert-Butyl [4,4'-bipiperidine]-1-carboxylate

C15H28N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C2CCN(c3cnc(Cl)cn3)CC2)CC1

HCID59178890

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d805305cc0747c49c1af38259045bb8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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