HRID89055

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

HCID58117017

未命名化合物

PRODUCTS

生成物

结构：Nc1ccccc1NC(=O)c1cc2c(s1)CN(C(=O)Nc1cccnc1)CC2

HCID25230191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42c1dc55646e4d41805cf91aa9455e72
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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