HRID306194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID75182

Benzoic acid, 4-phenoxy-

C13H10O3

HCID81531

Diisopropylethylamine

C8H19N

HCID204484

Propylphosphonic acid

C3H9O3P

HCID69213108

未命名化合物

PRODUCTS

生成物

结构：CN(C)C1CCN(c2ccc(C(=O)NNC(=O)c3ccc(Oc4ccccc4)cc3)cc2)C1

HCID69211067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fe5571f17bf4569a2d4ca7170721205
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:35]([P:36]([OH:37])([OH:38])=[O:39])[CH2:40][CH3:41].[CH3:1][N:2]([CH:3]1[CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][NH2:15])[cH:16][cH:17]2)[CH2:6][CH2:7]1)[CH3:18].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:42][CH2:43][Cl:44].[O:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]1.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[CH3:1][N:2]([CH:3]1[CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][NH:15][C:30]([c:29]3[cH:28][cH:27][c:26]([O:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[cH:34][cH:33]3)=[O:31])[cH:16][cH:17]2)[CH2:6][CH2:7]1)[CH3:18]