HRID2315247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

结构：O=C(Nc1cccnc1)Oc1ccc([N+](=O)[O-])cc1

HCID10061101

3-PYRIDINYLCARBAMIC ACID 4-NITROPHENYL ESTER

C12H9N3O4

HCID66864727

未命名化合物

PRODUCTS

生成物

结构：Cn1c(C(=O)Nc2ccccc2N)cc2c1CN(C(=O)Nc1cccnc1)CC2

HCID66864660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2526d84015b4998aa9401bb27599ac7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[N+:28]([c:29]1[cH:30][cH:31][c:32]([O:37][C:38](=[O:33])[NH:39][c:40]2[cH:41][n:42][cH:43][cH:44][cH:45]2)[cH:34][cH:35]1)([O-:36])=[O:46].[NH2:1][c:2]1[c:3]([NH:8][C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([n:19]2[CH3:20])[CH2:15][NH:16][CH2:17][CH2:18]3)[cH:4][cH:5][cH:6][cH:7]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[NH2:1][c:2]1[c:3]([NH:8][C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([n:19]2[CH3:20])[CH2:15][N:16]([C:38](=[O:37])[NH:39][c:40]2[cH:41][n:42][cH:43][cH:44][cH:45]2)[CH2:17][CH2:18]3)[cH:4][cH:5][cH:6][cH:7]1