HRID663622

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

反应SMILES：O=C(O)c1ccc(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1

HCID66941911

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CN(Cc3ncc[nH]3)Cc3ncc[nH]3)cc2)CC1

HCID66941477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-70e521600be748249edfc09cab6f5f4e
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

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