HRID1550435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

反应SMILES：CC(C)=CCn1c(Cl)nc2c1c(=O)n(COC(=O)C(C)(C)C)c(=O)n2COC(=O)C(C)(C)C

HCID23536891

未命名化合物

HCID66879275

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)=CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2c1c(=O)n(COC(=O)C(C)(C)C)c(=O)n2COC(=O)C(C)(C)C

HCID23536941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-769265fc774343e2add3ce00d69c5301
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:34]([CH3:35])([CH3:36])([CH3:37])[O:38][C:39](=[O:40])[N:41]1[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]1.[C:47]12=[N:57][NH:56][CH2:55][CH2:54][CH2:53][CH:52]1[CH2:51][CH2:50][CH2:49][CH2:48]2.[CH3:58][N:59]1[CH2:60][CH2:61][CH2:62][C:63]1=[O:64].[Cl:1][c:2]1[n:3][c:4]2[n:5]([CH2:26][O:27][C:28]([C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[c:6](=[O:25])[n:7]([CH2:17][O:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[c:8](=[O:16])[c:9]2[n:10]1[CH2:11][CH:12]=[C:13]([CH3:14])[CH3:15]>>[c:2]1([N:44]2[CH2:43][CH2:42][N:41]([C:39]([O:38][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:40])[CH2:46][CH2:45]2)[n:3][c:4]2[n:5]([CH2:26][O:27][C:28]([C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[c:6](=[O:25])[n:7]([CH2:17][O:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[c:8](=[O:16])[c:9]2[n:10]1[CH2:11][CH:12]=[C:13]([CH3:14])[CH3:15]